Showing metabocard for Epidermal growth factor (HMDB0251846)
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Detected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2021-09-11 09:28:27 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-10-01 21:35:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0251846 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Epidermal growth factor | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | In humans, epidermal growth factor is involved in the egf signalling pathway. Epidermal growth factor is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Epidermal growth factor. This compound has been identified in human blood as reported by (PMID: 31557052 ). Epidermal growth factor is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Epidermal growth factor is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for HMDB0251846 (Epidermal growth factor)Mrv1652309112111282D 420431 0 0 0 0 999 V2000 77.9947 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7092 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 79.4236 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7092 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 77.2802 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 74.4223 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 74.4223 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 7.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 73.7079 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 73.7079 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.9934 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72.2789 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72.2789 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.8500 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 70.8500 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 70.1355 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.1355 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7066 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 8.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 68.7066 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 67.9921 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9921 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5632 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 65.8487 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.8487 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2763 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 61.5619 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5619 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 7.3494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.1329 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.4184 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4184 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9895 4.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9895 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.2750 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2750 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 7.3494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8461 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.1316 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1316 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8461 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7027 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.9882 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9882 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7027 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5593 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.8448 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1303 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1303 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4158 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.7014 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7014 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1290 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.4146 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7001 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7001 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9856 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.1277 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1277 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 9.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.4133 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4133 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6988 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.9843 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9843 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 4.4619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5554 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5541 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5541 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 9.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.8396 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8396 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1251 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4107 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4107 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9817 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9817 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2672 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2672 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8383 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8383 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1238 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1238 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 3.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 1.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 1.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5123 7.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9602 7.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3727 8.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1178 9.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6698 9.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4768 9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7317 8.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1797 8.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7509 5.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5515 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8370 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8370 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5515 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3052 4.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8572 4.1844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4447 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6996 2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1476 2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3406 2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0857 3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6377 3.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1225 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1225 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4081 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6936 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6936 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9791 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9791 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2647 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6936 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9791 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9791 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2647 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5502 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5502 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4068 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6923 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2634 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5489 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8344 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8344 4.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1199 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4068 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1212 7.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6923 7.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 79.4236 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 80.1381 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.1381 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 80.8526 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.8526 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.1381 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 79.3844 4.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.8324 4.1844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 79.2449 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 80.0519 3.6415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 81.5670 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 82.2815 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 82.2815 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 82.9960 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 82.9960 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 82.2815 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 82.2815 8.1744 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 81.5670 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 83.7105 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 84.4249 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 84.4249 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 85.1394 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 85.1394 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 84.4249 4.4619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 85.8539 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 86.5683 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 86.5683 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87.2828 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 87.2828 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 87.9973 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 86.5683 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 87.9973 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 88.7118 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 88.7118 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 89.4262 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 90.1407 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 90.8552 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 90.8552 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 91.5696 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 92.2841 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 92.9986 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 92.9986 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 93.7130 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 93.7130 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 92.9986 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 92.9986 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 92.2841 4.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 94.4275 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 95.1420 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 95.1420 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 95.8565 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 95.8565 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 95.1420 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 94.4275 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 95.1420 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 96.5709 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 97.2854 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.2854 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 97.9999 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.9999 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.2854 4.4619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 98.7143 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 99.4288 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 99.4288 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 100.1433 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 100.1433 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 99.4288 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 98.7143 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.9999 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.9999 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 98.7143 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 99.4288 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 97.2854 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 100.8578 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 101.5722 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 101.5722 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 102.2867 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 103.0012 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 103.7156 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 103.7156 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 104.4301 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 104.4301 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 103.7156 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 103.0012 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 103.7156 8.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 105.1446 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 105.8591 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 105.8591 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 106.5735 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 106.5735 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 105.8591 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 105.8591 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 105.1446 3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 104.4301 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 104.4301 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 105.1446 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 103.7156 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 107.2880 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 108.0025 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 108.0025 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 108.7169 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 108.7169 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 108.0025 7.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 109.4314 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 110.1459 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 110.1459 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 110.8604 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 110.8604 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 110.1459 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 111.5748 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 112.2893 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 112.2893 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 113.0038 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 113.0900 6.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 113.8970 7.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 114.3095 6.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 113.7574 5.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 113.9290 4.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 113.3159 4.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 114.7136 4.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 115.3267 5.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 116.1113 5.0116 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 114.8851 3.9075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 115.6697 3.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 116.2828 4.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 115.8413 2.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 116.6259 2.5907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 116.7974 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 116.1843 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 117.5820 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 117.8370 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 118.6620 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 118.9169 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 118.2495 2.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 118.2495 2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 117.5350 3.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 118.9639 3.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 118.9639 4.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 119.6784 4.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 119.6784 5.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 120.3929 5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 121.1074 5.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 121.1074 4.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 120.3929 4.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 121.8218 5.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 119.6784 2.8387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 120.3929 3.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 120.8778 3.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 121.1074 2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 121.1074 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 120.3929 1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 121.8218 3.2512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 122.5363 2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 122.5363 2.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 123.2508 3.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 123.9652 2.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 124.6797 3.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 125.3942 2.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 124.6797 4.0762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 123.2508 4.0762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 32 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 48 53 1 0 0 0 0 51 54 1 0 0 0 0 46 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 58 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 65 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 79 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 85 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 95 96 1 0 0 0 0 92 97 1 0 0 0 0 97 98 2 0 0 0 0 97 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 101103 1 0 0 0 0 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0 161162 1 0 0 0 0 161163 1 0 0 0 0 160164 1 0 0 0 0 164165 2 0 0 0 0 164166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 172173 2 0 0 0 0 172174 1 0 0 0 0 167175 1 0 0 0 0 175176 2 0 0 0 0 175177 1 0 0 0 0 177178 1 0 0 0 0 178179 1 0 0 0 0 179180 1 0 0 0 0 180181 2 0 0 0 0 180182 1 0 0 0 0 178183 1 0 0 0 0 183184 2 0 0 0 0 183185 1 0 0 0 0 185186 1 0 0 0 0 186187 1 0 0 0 0 187188 1 0 0 0 0 188189 1 0 0 0 0 188190 1 0 0 0 0 186191 1 0 0 0 0 191192 2 0 0 0 0 191193 1 0 0 0 0 193194 1 0 0 0 0 194195 1 0 0 0 0 195196 1 0 0 0 0 196197 1 0 0 0 0 197198 1 0 0 0 0 198199 1 0 0 0 0 199200 2 0 0 0 0 199201 1 0 0 0 0 194202 1 0 0 0 0 202203 2 0 0 0 0 202204 1 0 0 0 0 204205 1 0 0 0 0 205206 1 0 0 0 0 206207 1 0 0 0 0 207208 2 0 0 0 0 208209 1 0 0 0 0 209210 1 0 0 0 0 210211 2 0 0 0 0 211212 1 0 0 0 0 212213 2 0 0 0 0 213214 1 0 0 0 0 214215 2 0 0 0 0 210215 1 0 0 0 0 207215 1 0 0 0 0 205216 1 0 0 0 0 216217 2 0 0 0 0 216218 1 0 0 0 0 218219 1 0 0 0 0 219220 1 0 0 0 0 220221 1 0 0 0 0 221222 2 0 0 0 0 222223 1 0 0 0 0 223224 1 0 0 0 0 224225 2 0 0 0 0 225226 1 0 0 0 0 226227 2 0 0 0 0 227228 1 0 0 0 0 228229 2 0 0 0 0 224229 1 0 0 0 0 221229 1 0 0 0 0 219230 1 0 0 0 0 230231 2 0 0 0 0 230232 1 0 0 0 0 232233 1 0 0 0 0 233234 1 0 0 0 0 234235 1 0 0 0 0 235236 1 0 0 0 0 236237 2 0 0 0 0 236238 1 0 0 0 0 233239 1 0 0 0 0 239240 2 0 0 0 0 239241 1 0 0 0 0 241242 1 0 0 0 0 242243 1 0 0 0 0 243244 1 0 0 0 0 244245 1 0 0 0 0 244246 1 0 0 0 0 242247 1 0 0 0 0 247248 2 0 0 0 0 247249 1 0 0 0 0 249250 1 0 0 0 0 250251 1 0 0 0 0 251252 1 0 0 0 0 252253 1 0 0 0 0 253254 1 0 0 0 0 254255 1 0 0 0 0 255256 2 0 0 0 0 255257 1 0 0 0 0 250258 1 0 0 0 0 258259 2 0 0 0 0 258260 1 0 0 0 0 5261 1 0 0 0 0 261262 1 0 0 0 0 262263 2 0 0 0 0 262264 1 0 0 0 0 264265 1 0 0 0 0 265266 1 0 0 0 0 266267 2 0 0 0 0 267268 1 0 0 0 0 268269 2 0 0 0 0 269270 1 0 0 0 0 266270 1 0 0 0 0 264271 1 0 0 0 0 271272 1 0 0 0 0 272273 2 0 0 0 0 272274 1 0 0 0 0 274275 1 0 0 0 0 275276 1 0 0 0 0 276277 1 0 0 0 0 277278 1 0 0 0 0 274279 1 0 0 0 0 279280 1 0 0 0 0 280281 2 0 0 0 0 280282 1 0 0 0 0 282283 1 0 0 0 0 283284 1 0 0 0 0 282285 1 0 0 0 0 285286 1 0 0 0 0 286287 2 0 0 0 0 286288 1 0 0 0 0 288289 1 0 0 0 0 289290 1 0 0 0 0 289291 1 0 0 0 0 288292 1 0 0 0 0 292293 1 0 0 0 0 293294 2 0 0 0 0 293295 1 0 0 0 0 295296 1 0 0 0 0 296297 1 0 0 0 0 297298 2 0 0 0 0 297299 1 0 0 0 0 299300 1 0 0 0 0 300301 1 0 0 0 0 301302 2 0 0 0 0 301303 1 0 0 0 0 303304 1 0 0 0 0 304305 1 0 0 0 0 305306 2 0 0 0 0 305307 1 0 0 0 0 303308 1 0 0 0 0 308309 1 0 0 0 0 309310 2 0 0 0 0 309311 1 0 0 0 0 311312 1 0 0 0 0 312313 1 0 0 0 0 313314 1 0 0 0 0 313315 1 0 0 0 0 311316 1 0 0 0 0 316317 1 0 0 0 0 317318 2 0 0 0 0 317319 1 0 0 0 0 319320 1 0 0 0 0 320321 1 0 0 0 0 319322 1 0 0 0 0 322323 1 0 0 0 0 323324 2 0 0 0 0 323325 1 0 0 0 0 325326 1 0 0 0 0 326327 1 0 0 0 0 327328 2 0 0 0 0 328329 1 0 0 0 0 329330 2 0 0 0 0 330331 1 0 0 0 0 331332 2 0 0 0 0 327332 1 0 0 0 0 330333 1 0 0 0 0 325334 1 0 0 0 0 334335 1 0 0 0 0 335336 2 0 0 0 0 335337 1 0 0 0 0 337338 1 0 0 0 0 338339 1 0 0 0 0 339340 2 0 0 0 0 339341 1 0 0 0 0 341342 1 0 0 0 0 342343 1 0 0 0 0 343344 2 0 0 0 0 343345 1 0 0 0 0 341346 1 0 0 0 0 346347 1 0 0 0 0 347348 2 0 0 0 0 347349 1 0 0 0 0 349350 1 0 0 0 0 350351 1 0 0 0 0 351352 2 0 0 0 0 352353 1 0 0 0 0 353354 2 0 0 0 0 354355 1 0 0 0 0 355356 2 0 0 0 0 351356 1 0 0 0 0 354357 1 0 0 0 0 349358 1 0 0 0 0 358359 1 0 0 0 0 359360 2 0 0 0 0 359361 1 0 0 0 0 361362 1 0 0 0 0 362363 1 0 0 0 0 361364 1 0 0 0 0 364365 1 0 0 0 0 365366 2 0 0 0 0 365367 1 0 0 0 0 367368 1 0 0 0 0 368369 1 0 0 0 0 367370 1 0 0 0 0 370371 1 0 0 0 0 371372 2 0 0 0 0 371373 1 0 0 0 0 373374 1 0 0 0 0 374375 1 0 0 0 0 375376 1 0 0 0 0 376377 1 0 0 0 0 373377 1 0 0 0 0 377378 1 0 0 0 0 378379 2 0 0 0 0 378380 1 0 0 0 0 380381 1 0 0 0 0 381382 1 0 0 0 0 380383 1 0 0 0 0 383384 1 0 0 0 0 384385 2 0 0 0 0 384386 1 0 0 0 0 386387 1 0 0 0 0 387388 1 0 0 0 0 388389 2 0 0 0 0 388390 1 0 0 0 0 390391 1 0 0 0 0 391392 1 0 0 0 0 392393 1 0 0 0 0 393394 1 0 0 0 0 390394 1 0 0 0 0 394395 1 0 0 0 0 395396 2 0 0 0 0 395397 1 0 0 0 0 397398 1 0 0 0 0 398399 1 0 0 0 0 399400 2 0 0 0 0 400401 1 0 0 0 0 401402 2 0 0 0 0 402403 1 0 0 0 0 403404 2 0 0 0 0 399404 1 0 0 0 0 402405 1 0 0 0 0 397406 1 0 0 0 0 406407 1 0 0 0 0 407408 2 0 0 0 0 407409 1 0 0 0 0 409410 1 0 0 0 0 410411 1 0 0 0 0 409412 1 0 0 0 0 412413 1 0 0 0 0 413414 2 0 0 0 0 413415 1 0 0 0 0 415416 1 0 0 0 0 416417 1 0 0 0 0 417418 2 0 0 0 0 417419 1 0 0 0 0 415420 1 0 0 0 0 M END 3D MOL for HMDB0251846 (Epidermal growth factor)HMDB0251846
RDKit 3D
Epidermal growth factor
801812 0 0 0 0 0 0 0 0999 V2000
-3.3193 4.3698 -11.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1006 3.1358 -10.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6118 3.2755 -11.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0880 4.5189 -10.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1657 2.0452 -10.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5600 1.9031 -10.7875 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6411 2.6589 -11.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5639 3.8068 -11.6650 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9906 1.9263 -11.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4960 1.3380 -12.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3032 0.7009 -13.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5973 1.5769 -13.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5729 0.8792 -14.3610 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5795 -0.3767 -13.7615 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6718 -0.3909 -13.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.4942 1.9523 -9.8897 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.8977 2.1137 -9.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.7280 2.1405 -10.5646 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3203 2.2794 -8.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3524 3.5705 -8.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5407 4.5081 -9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0511 6.2545 -9.2218 S 0 0 0 0 0 0 0 0 0 0 0 0
-11.6412 7.2690 -8.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6506 2.6642 -7.1349 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6980 3.5461 -6.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2993 4.5904 -5.8343 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8270 3.0268 -4.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7718 1.5223 -4.9598 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4679 0.7818 -4.7611 S 0 0 0 0 0 0 0 0 0 0 0 0
-10.6302 3.6902 -3.7977 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.6527 4.9531 -3.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6807 6.0045 -3.9240 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6678 5.0205 -1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5248 5.4876 -1.2225 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.0696 6.1878 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7922 6.5782 0.8179 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6076 6.4399 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0434 6.6448 1.1663 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6066 6.5320 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9755 6.3267 0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9370 6.6201 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5745 6.2143 2.2564 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6990 6.0121 3.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 6.0755 4.4844 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 5.7311 3.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
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420801 1 0
M END
3D SDF for HMDB0251846 (Epidermal growth factor)Mrv1652309112111282D 420431 0 0 0 0 999 V2000 77.9947 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7092 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 79.4236 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7092 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9947 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 77.2802 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 76.5657 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 3.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.8513 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 74.4223 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 74.4223 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 75.1368 7.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 73.7079 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 73.7079 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.9934 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 72.2789 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72.2789 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.8500 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5644 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 70.8500 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 70.1355 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.1355 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7066 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 8.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.4210 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 68.7066 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 67.9921 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9921 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.2776 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5632 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 65.8487 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.8487 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1342 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7053 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4197 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9908 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2763 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 61.5619 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5619 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 7.3494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8474 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.1329 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.4184 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4184 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9895 4.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7040 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9895 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.2750 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2750 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 7.3494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5606 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8461 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.1316 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1316 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8461 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4171 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7027 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.9882 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9882 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7027 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2737 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5593 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.8448 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1303 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1303 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4158 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.7014 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7014 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 8.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9869 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2724 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8435 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1290 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.4146 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7001 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7001 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9856 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.1277 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1277 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.5567 9.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8422 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 42.2711 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.4133 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4133 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6988 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.9843 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9843 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 4.4619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2698 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5554 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8409 8.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1264 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4120 4.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5541 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5541 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 8.5869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9830 9.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2685 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6975 9.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.8396 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8396 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1251 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4107 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4107 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 3.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9817 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6962 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9817 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2672 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2672 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8383 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 8.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5528 4.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8383 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1238 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1238 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 3.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 3.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 1.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 1.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4094 6.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6949 5.6994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 6.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9804 6.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 7.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5123 7.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9602 7.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3727 8.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1178 9.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6698 9.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4768 9.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7317 8.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1797 8.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7509 5.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5515 6.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8370 5.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8370 4.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5515 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3052 4.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8572 4.1844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4447 3.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6996 2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1476 2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3406 2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0857 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0 0 0 390391 1 0 0 0 0 391392 1 0 0 0 0 392393 1 0 0 0 0 393394 1 0 0 0 0 390394 1 0 0 0 0 394395 1 0 0 0 0 395396 2 0 0 0 0 395397 1 0 0 0 0 397398 1 0 0 0 0 398399 1 0 0 0 0 399400 2 0 0 0 0 400401 1 0 0 0 0 401402 2 0 0 0 0 402403 1 0 0 0 0 403404 2 0 0 0 0 399404 1 0 0 0 0 402405 1 0 0 0 0 397406 1 0 0 0 0 406407 1 0 0 0 0 407408 2 0 0 0 0 407409 1 0 0 0 0 409410 1 0 0 0 0 410411 1 0 0 0 0 409412 1 0 0 0 0 412413 1 0 0 0 0 413414 2 0 0 0 0 413415 1 0 0 0 0 415416 1 0 0 0 0 416417 1 0 0 0 0 417418 2 0 0 0 0 417419 1 0 0 0 0 415420 1 0 0 0 0 M END > <DATABASE_ID> HMDB0251846 > <DATABASE_NAME> hmdb > <SMILES> CCC(C)C(NC(=O)C(NC(=O)C(CS)NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(CC1=CN=CN1)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(N)CC(N)=O)C(C)C)C(C)CC)C(C)O)C(C)C)C(=O)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O > <INCHI_IDENTIFIER> InChI=1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275) > <INCHI_KEY> VBEQCZHXXJYVRD-UHFFFAOYSA-N > <FORMULA> C257H381N73O83S7 > <MOLECULAR_WEIGHT> 6045.72 > <EXACT_MASS> 6041.588151238 > <JCHEM_ACCEPTOR_COUNT> 97 > <JCHEM_ATOM_COUNT> 801 > <JCHEM_AVERAGE_POLARIZABILITY> 611.4983305444925 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 96 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_LOGP> -37.98647590338427 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 12 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 3.3684926287425556 > <JCHEM_PKA_STRONGEST_ACIDIC> 2.9410323093356108 > <JCHEM_PKA_STRONGEST_BASIC> 12.534023682240154 > <JCHEM_POLAR_SURFACE_AREA> 2525.9500000000007 > <JCHEM_REFRACTIVITY> 1530.4725999999966 > <JCHEM_ROTATABLE_BOND_COUNT> 189 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for HMDB0251846 (Epidermal growth factor)HMDB0251846
RDKit 3D
Epidermal growth factor
801812 0 0 0 0 0 0 0 0999 V2000
-3.3193 4.3698 -11.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1006 3.1358 -10.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6118 3.2755 -11.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0880 4.5189 -10.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1657 2.0452 -10.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5600 1.9031 -10.7875 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6411 2.6589 -11.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5639 3.8068 -11.6650 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9906 1.9263 -11.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4960 1.3380 -12.3907 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3032 0.7009 -13.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5973 1.5769 -13.9759 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5729 0.8792 -14.3610 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5795 -0.3767 -13.7615 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6718 -0.3909 -13.0001 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.4942 1.9523 -9.8897 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.8977 2.1137 -9.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.7280 2.1405 -10.5646 O 0 0 0 0 0 0 0 0 0 0 0 0
-12.3203 2.2794 -8.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.3524 3.5705 -8.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5407 4.5081 -9.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.0511 6.2545 -9.2218 S 0 0 0 0 0 0 0 0 0 0 0 0
-11.6412 7.2690 -8.5575 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.6506 2.6642 -7.1349 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.6980 3.5461 -6.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2993 4.5904 -5.8343 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8270 3.0268 -4.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7718 1.5223 -4.9598 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.4679 0.7818 -4.7611 S 0 0 0 0 0 0 0 0 0 0 0 0
-10.6302 3.6902 -3.7977 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.6527 4.9531 -3.2549 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6807 6.0045 -3.9240 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.6678 5.0205 -1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5248 5.4876 -1.2225 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.0696 6.1878 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7922 6.5782 0.8179 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6076 6.4399 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0434 6.6448 1.1663 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6066 6.5320 1.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9755 6.3267 0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9370 6.6201 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5745 6.2143 2.2564 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6990 6.0121 3.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 6.0755 4.4844 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2685 5.7311 3.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7022 7.1206 3.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5929 8.1927 3.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7490 8.9949 2.2842 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4448 8.5563 4.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8860 4.7998 4.0947 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4172 4.7459 4.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3064 5.4556 4.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 3.8596 5.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1073 4.6867 7.0814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 5.7691 7.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1947 5.4138 7.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6792 7.1324 7.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6124 2.8720 5.8097 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5707 2.5140 4.8817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 3.1295 3.7892 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5308 1.4466 5.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8341 2.4036 5.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4085 3.3786 6.8401 S 0 0 0 0 0 0 0 0 0 0 0 0
4.1112 0.6417 4.1921 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -0.6603 4.6805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4019 -0.9304 5.8499 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4315 -1.3670 3.7432 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8987 -0.8188 4.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8967 -1.3284 3.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8081 -2.3524 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8060 -2.7758 2.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9183 -2.0833 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9274 -2.5557 0.5334 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0883 -1.0956 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0937 -0.6763 1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5149 -2.6419 3.2465 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3196 -3.7826 3.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0415 -3.9822 4.5610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3512 -4.6930 2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6199 -5.9850 2.3485 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6642 -6.5063 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7343 -5.6826 0.0166 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5614 -7.8902 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6985 -8.7845 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7304 -8.4929 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5975 -7.6339 -0.1095 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6515 -9.1876 -1.4986 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9370 -8.0156 -0.6364 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6883 -8.5530 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9647 -8.9293 0.1483 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0590 -8.7598 -2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7580 -10.0123 -2.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4692 -10.9463 -3.6443 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7039 -12.0209 -3.2569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5749 -13.0779 -4.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1738 -13.0549 -5.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0406 -14.1891 -6.1237 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8626 -12.0440 -5.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0346 -10.9251 -4.8595 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6566 -8.7596 -2.2733 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9358 -8.4285 -3.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6426 -8.2063 -4.5060 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5041 -8.2947 -3.6482 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1630 -8.0449 -2.2413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0923 -9.1976 -1.5351 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0378 -7.3381 -4.5136 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7276 -6.0851 -4.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 -5.6461 -3.0841 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3809 -5.4365 -5.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1679 -6.6475 -6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -7.6806 -5.0744 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 -4.3167 -6.0593 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8675 -2.9664 -5.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8176 -2.0838 -7.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2991 -2.2480 -7.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9659 -1.5500 -6.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9408 -0.4866 -6.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8138 -0.6911 -6.8871 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7048 0.2511 -7.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1012 -0.0800 -8.2822 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5456 1.3983 -6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3295 2.6310 -6.9803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9783 3.5442 -5.5419 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6684 1.8925 -5.9154 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 2.9229 -5.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 3.8429 -6.8146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 3.0113 -4.8681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4759 3.3820 -4.0810 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2726 4.2100 -3.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2125 5.4102 -3.0978 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3955 3.5182 -2.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5371 3.3646 -3.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0793 4.7715 -3.4969 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8201 5.2340 -2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9025 4.3151 -1.4091 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6303 4.3554 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4256 3.2215 0.5214 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5755 5.4617 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2004 5.1790 1.7335 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9419 6.2456 2.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3788 6.3462 3.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4102 7.3499 4.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for HMDB0251846 (Epidermal growth factor)HEADER PROTEIN 11-SEP-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 11-SEP-21 0 HETATM 1 C UNK 0 145.590 15.259 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 145.590 13.719 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 146.924 12.949 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 148.257 13.719 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 146.924 11.409 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 145.590 10.639 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 145.590 9.099 0.000 0.00 0.00 O+0 HETATM 8 N UNK 0 144.256 11.409 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 142.923 10.639 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 142.923 9.099 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 141.589 8.329 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 141.589 6.789 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 142.923 6.019 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 140.255 6.019 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 141.589 11.409 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 141.589 12.949 0.000 0.00 0.00 O+0 HETATM 17 N UNK 0 140.255 10.639 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 138.922 11.409 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 138.922 12.949 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 140.255 13.719 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 137.588 10.639 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 137.588 9.099 0.000 0.00 0.00 O+0 HETATM 23 N UNK 0 136.254 11.409 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 134.921 10.639 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 134.921 9.099 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 133.587 8.329 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 133.587 6.789 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 132.253 9.099 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 133.587 11.409 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 133.587 12.949 0.000 0.00 0.00 O+0 HETATM 31 N UNK 0 132.253 10.639 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 130.920 11.409 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 130.920 12.949 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 129.586 13.719 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 128.252 12.949 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 129.586 15.259 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 129.586 10.639 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 129.586 9.099 0.000 0.00 0.00 O+0 HETATM 39 N UNK 0 128.252 11.409 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 126.919 10.639 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 126.919 9.099 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 125.585 8.329 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 125.585 11.409 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 125.585 12.949 0.000 0.00 0.00 O+0 HETATM 45 N UNK 0 124.251 10.639 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 122.918 11.409 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 122.918 12.949 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 121.584 13.719 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 120.250 12.949 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 118.916 13.719 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 118.916 15.259 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 120.250 16.029 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 121.584 15.259 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 117.583 16.029 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 121.584 10.639 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 121.584 9.099 0.000 0.00 0.00 O+0 HETATM 57 N UNK 0 120.250 11.409 0.000 0.00 0.00 N+0 HETATM 58 C UNK 0 118.916 10.639 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 118.916 9.099 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 117.583 8.329 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 120.250 8.329 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 117.583 11.409 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 117.583 12.949 0.000 0.00 0.00 O+0 HETATM 64 N UNK 0 116.249 10.639 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 114.915 11.409 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 114.915 12.949 0.000 0.00 0.00 C+0 HETATM 67 S UNK 0 113.582 13.719 0.000 0.00 0.00 S+0 HETATM 68 C UNK 0 113.582 10.639 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 113.582 9.099 0.000 0.00 0.00 O+0 HETATM 70 N UNK 0 112.248 11.409 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 110.914 10.639 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 110.914 9.099 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 109.581 8.329 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 109.581 6.789 0.000 0.00 0.00 O+0 HETATM 75 N UNK 0 108.247 9.099 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 109.581 11.409 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 109.581 12.949 0.000 0.00 0.00 O+0 HETATM 78 N UNK 0 108.247 10.639 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 106.913 11.409 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 106.913 12.949 0.000 0.00 0.00 C+0 HETATM 81 S UNK 0 105.580 13.719 0.000 0.00 0.00 S+0 HETATM 82 C UNK 0 105.580 10.639 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 105.580 9.099 0.000 0.00 0.00 O+0 HETATM 84 N UNK 0 104.246 11.409 0.000 0.00 0.00 N+0 HETATM 85 C UNK 0 102.912 10.639 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 102.912 9.099 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 101.579 8.329 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 104.246 8.329 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 101.579 11.409 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 101.579 12.949 0.000 0.00 0.00 O+0 HETATM 91 N UNK 0 100.245 10.639 0.000 0.00 0.00 N+0 HETATM 92 C UNK 0 98.911 11.409 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 98.911 12.949 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 100.245 13.719 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 97.578 13.719 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 97.578 15.259 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 97.578 10.639 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 97.578 9.099 0.000 0.00 0.00 O+0 HETATM 99 N UNK 0 96.244 11.409 0.000 0.00 0.00 N+0 HETATM 100 C UNK 0 94.910 10.639 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 93.577 11.409 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 93.577 12.949 0.000 0.00 0.00 O+0 HETATM 103 N UNK 0 92.243 10.639 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 90.909 11.409 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 90.909 12.949 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 89.576 13.719 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 88.242 12.949 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 86.908 13.719 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 86.908 15.259 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 88.242 16.029 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 89.576 15.259 0.000 0.00 0.00 C+0 HETATM 112 O UNK 0 85.575 16.029 0.000 0.00 0.00 O+0 HETATM 113 C UNK 0 89.576 10.639 0.000 0.00 0.00 C+0 HETATM 114 O UNK 0 89.576 9.099 0.000 0.00 0.00 O+0 HETATM 115 N UNK 0 88.242 11.409 0.000 0.00 0.00 N+0 HETATM 116 C UNK 0 86.908 10.639 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 86.908 9.099 0.000 0.00 0.00 C+0 HETATM 118 O UNK 0 85.575 8.329 0.000 0.00 0.00 O+0 HETATM 119 C UNK 0 85.575 11.409 0.000 0.00 0.00 C+0 HETATM 120 O UNK 0 85.575 12.949 0.000 0.00 0.00 O+0 HETATM 121 N UNK 0 84.241 10.639 0.000 0.00 0.00 N+0 HETATM 122 C UNK 0 82.907 11.409 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 81.573 10.639 0.000 0.00 0.00 C+0 HETATM 124 O UNK 0 81.573 9.099 0.000 0.00 0.00 O+0 HETATM 125 N UNK 0 80.240 11.409 0.000 0.00 0.00 N+0 HETATM 126 C UNK 0 78.906 10.639 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 78.906 9.099 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 77.572 8.329 0.000 0.00 0.00 C+0 HETATM 129 O UNK 0 77.572 6.789 0.000 0.00 0.00 O+0 HETATM 130 O UNK 0 76.239 9.099 0.000 0.00 0.00 O+0 HETATM 131 C UNK 0 77.572 11.409 0.000 0.00 0.00 C+0 HETATM 132 O UNK 0 77.572 12.949 0.000 0.00 0.00 O+0 HETATM 133 N UNK 0 76.239 10.639 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 74.905 11.409 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 74.905 12.949 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 76.239 13.719 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 76.239 15.259 0.000 0.00 0.00 C+0 HETATM 138 N UNK 0 77.572 16.029 0.000 0.00 0.00 N+0 HETATM 139 C UNK 0 77.572 17.569 0.000 0.00 0.00 C+0 HETATM 140 N UNK 0 76.239 18.339 0.000 0.00 0.00 N+0 HETATM 141 N UNK 0 78.906 18.339 0.000 0.00 0.00 N+0 HETATM 142 C UNK 0 73.571 10.639 0.000 0.00 0.00 C+0 HETATM 143 O UNK 0 73.571 9.099 0.000 0.00 0.00 O+0 HETATM 144 N UNK 0 72.238 11.409 0.000 0.00 0.00 N+0 HETATM 145 C UNK 0 70.904 10.639 0.000 0.00 0.00 C+0 HETATM 146 C UNK 0 70.904 9.099 0.000 0.00 0.00 C+0 HETATM 147 S UNK 0 69.570 8.329 0.000 0.00 0.00 S+0 HETATM 148 C UNK 0 69.570 11.409 0.000 0.00 0.00 C+0 HETATM 149 O UNK 0 69.570 12.949 0.000 0.00 0.00 O+0 HETATM 150 N UNK 0 68.237 10.639 0.000 0.00 0.00 N+0 HETATM 151 C UNK 0 66.903 11.409 0.000 0.00 0.00 C+0 HETATM 152 C UNK 0 66.903 12.949 0.000 0.00 0.00 C+0 HETATM 153 C UNK 0 65.569 13.719 0.000 0.00 0.00 C+0 HETATM 154 C UNK 0 65.569 15.259 0.000 0.00 0.00 C+0 HETATM 155 O UNK 0 66.903 16.029 0.000 0.00 0.00 O+0 HETATM 156 N UNK 0 64.236 16.029 0.000 0.00 0.00 N+0 HETATM 157 C UNK 0 65.569 10.639 0.000 0.00 0.00 C+0 HETATM 158 O UNK 0 65.569 9.099 0.000 0.00 0.00 O+0 HETATM 159 N UNK 0 64.236 11.409 0.000 0.00 0.00 N+0 HETATM 160 C UNK 0 62.902 10.639 0.000 0.00 0.00 C+0 HETATM 161 C UNK 0 62.902 9.099 0.000 0.00 0.00 C+0 HETATM 162 C UNK 0 61.568 8.329 0.000 0.00 0.00 C+0 HETATM 163 O UNK 0 64.236 8.329 0.000 0.00 0.00 O+0 HETATM 164 C UNK 0 61.568 11.409 0.000 0.00 0.00 C+0 HETATM 165 O UNK 0 61.568 12.949 0.000 0.00 0.00 O+0 HETATM 166 N UNK 0 60.235 10.639 0.000 0.00 0.00 N+0 HETATM 167 C UNK 0 58.901 11.409 0.000 0.00 0.00 C+0 HETATM 168 C UNK 0 58.901 12.949 0.000 0.00 0.00 C+0 HETATM 169 C UNK 0 60.235 13.719 0.000 0.00 0.00 C+0 HETATM 170 C UNK 0 60.235 15.259 0.000 0.00 0.00 C+0 HETATM 171 N UNK 0 61.568 16.029 0.000 0.00 0.00 N+0 HETATM 172 C UNK 0 61.568 17.569 0.000 0.00 0.00 C+0 HETATM 173 N UNK 0 60.235 18.339 0.000 0.00 0.00 N+0 HETATM 174 N UNK 0 62.902 18.339 0.000 0.00 0.00 N+0 HETATM 175 C UNK 0 57.567 10.639 0.000 0.00 0.00 C+0 HETATM 176 O UNK 0 57.567 9.099 0.000 0.00 0.00 O+0 HETATM 177 N UNK 0 56.234 11.409 0.000 0.00 0.00 N+0 HETATM 178 C UNK 0 54.900 10.639 0.000 0.00 0.00 C+0 HETATM 179 C UNK 0 54.900 9.099 0.000 0.00 0.00 C+0 HETATM 180 C UNK 0 53.566 8.329 0.000 0.00 0.00 C+0 HETATM 181 O UNK 0 53.566 6.789 0.000 0.00 0.00 O+0 HETATM 182 O UNK 0 52.233 9.099 0.000 0.00 0.00 O+0 HETATM 183 C UNK 0 53.566 11.409 0.000 0.00 0.00 C+0 HETATM 184 O UNK 0 53.566 12.949 0.000 0.00 0.00 O+0 HETATM 185 N UNK 0 52.233 10.639 0.000 0.00 0.00 N+0 HETATM 186 C UNK 0 50.899 11.409 0.000 0.00 0.00 C+0 HETATM 187 C UNK 0 50.899 12.949 0.000 0.00 0.00 C+0 HETATM 188 C UNK 0 49.565 13.719 0.000 0.00 0.00 C+0 HETATM 189 C UNK 0 48.232 12.949 0.000 0.00 0.00 C+0 HETATM 190 C UNK 0 49.565 15.259 0.000 0.00 0.00 C+0 HETATM 191 C UNK 0 49.565 10.639 0.000 0.00 0.00 C+0 HETATM 192 O UNK 0 49.565 9.099 0.000 0.00 0.00 O+0 HETATM 193 N UNK 0 48.232 11.409 0.000 0.00 0.00 N+0 HETATM 194 C UNK 0 46.898 10.639 0.000 0.00 0.00 C+0 HETATM 195 C UNK 0 46.898 9.099 0.000 0.00 0.00 C+0 HETATM 196 C UNK 0 45.564 8.329 0.000 0.00 0.00 C+0 HETATM 197 C UNK 0 45.564 6.789 0.000 0.00 0.00 C+0 HETATM 198 N UNK 0 44.230 6.019 0.000 0.00 0.00 N+0 HETATM 199 C UNK 0 44.230 4.479 0.000 0.00 0.00 C+0 HETATM 200 N UNK 0 45.564 3.709 0.000 0.00 0.00 N+0 HETATM 201 N UNK 0 42.897 3.709 0.000 0.00 0.00 N+0 HETATM 202 C UNK 0 45.564 11.409 0.000 0.00 0.00 C+0 HETATM 203 O UNK 0 45.564 12.949 0.000 0.00 0.00 O+0 HETATM 204 N UNK 0 44.230 10.639 0.000 0.00 0.00 N+0 HETATM 205 C UNK 0 42.897 11.409 0.000 0.00 0.00 C+0 HETATM 206 C UNK 0 42.897 12.949 0.000 0.00 0.00 C+0 HETATM 207 C UNK 0 41.563 13.719 0.000 0.00 0.00 C+0 HETATM 208 C UNK 0 40.156 13.093 0.000 0.00 0.00 C+0 HETATM 209 N UNK 0 39.126 14.237 0.000 0.00 0.00 N+0 HETATM 210 C UNK 0 39.896 15.571 0.000 0.00 0.00 C+0 HETATM 211 C UNK 0 39.420 17.035 0.000 0.00 0.00 C+0 HETATM 212 C UNK 0 40.450 18.180 0.000 0.00 0.00 C+0 HETATM 213 C UNK 0 41.957 17.860 0.000 0.00 0.00 C+0 HETATM 214 C UNK 0 42.433 16.395 0.000 0.00 0.00 C+0 HETATM 215 C UNK 0 41.402 15.251 0.000 0.00 0.00 C+0 HETATM 216 C UNK 0 41.563 10.639 0.000 0.00 0.00 C+0 HETATM 217 O UNK 0 42.468 9.393 0.000 0.00 0.00 O+0 HETATM 218 N UNK 0 40.229 11.409 0.000 0.00 0.00 N+0 HETATM 219 C UNK 0 38.896 10.639 0.000 0.00 0.00 C+0 HETATM 220 C UNK 0 38.896 9.099 0.000 0.00 0.00 C+0 HETATM 221 C UNK 0 40.229 8.329 0.000 0.00 0.00 C+0 HETATM 222 C UNK 0 41.636 8.955 0.000 0.00 0.00 C+0 HETATM 223 N UNK 0 42.667 7.811 0.000 0.00 0.00 N+0 HETATM 224 C UNK 0 41.897 6.477 0.000 0.00 0.00 C+0 HETATM 225 C UNK 0 42.373 5.013 0.000 0.00 0.00 C+0 HETATM 226 C UNK 0 41.342 3.868 0.000 0.00 0.00 C+0 HETATM 227 C UNK 0 39.836 4.188 0.000 0.00 0.00 C+0 HETATM 228 C UNK 0 39.360 5.653 0.000 0.00 0.00 C+0 HETATM 229 C UNK 0 40.390 6.797 0.000 0.00 0.00 C+0 HETATM 230 C UNK 0 37.562 11.409 0.000 0.00 0.00 C+0 HETATM 231 O UNK 0 37.562 12.949 0.000 0.00 0.00 O+0 HETATM 232 N UNK 0 36.228 10.639 0.000 0.00 0.00 N+0 HETATM 233 C UNK 0 34.895 11.409 0.000 0.00 0.00 C+0 HETATM 234 C UNK 0 34.895 12.949 0.000 0.00 0.00 C+0 HETATM 235 C UNK 0 33.561 13.719 0.000 0.00 0.00 C+0 HETATM 236 C UNK 0 33.561 15.259 0.000 0.00 0.00 C+0 HETATM 237 O UNK 0 32.227 16.029 0.000 0.00 0.00 O+0 HETATM 238 O UNK 0 34.895 16.029 0.000 0.00 0.00 O+0 HETATM 239 C UNK 0 33.561 10.639 0.000 0.00 0.00 C+0 HETATM 240 O UNK 0 33.561 9.099 0.000 0.00 0.00 O+0 HETATM 241 N UNK 0 32.227 11.409 0.000 0.00 0.00 N+0 HETATM 242 C UNK 0 30.894 10.639 0.000 0.00 0.00 C+0 HETATM 243 C UNK 0 30.894 9.099 0.000 0.00 0.00 C+0 HETATM 244 C UNK 0 29.560 8.329 0.000 0.00 0.00 C+0 HETATM 245 C UNK 0 29.560 6.789 0.000 0.00 0.00 C+0 HETATM 246 C UNK 0 28.226 9.099 0.000 0.00 0.00 C+0 HETATM 247 C UNK 0 29.560 11.409 0.000 0.00 0.00 C+0 HETATM 248 O UNK 0 29.560 12.949 0.000 0.00 0.00 O+0 HETATM 249 N UNK 0 28.226 10.639 0.000 0.00 0.00 N+0 HETATM 250 C UNK 0 26.893 11.409 0.000 0.00 0.00 C+0 HETATM 251 C UNK 0 25.559 10.639 0.000 0.00 0.00 C+0 HETATM 252 C UNK 0 24.225 11.409 0.000 0.00 0.00 C+0 HETATM 253 C UNK 0 22.892 10.639 0.000 0.00 0.00 C+0 HETATM 254 N UNK 0 21.558 11.409 0.000 0.00 0.00 N+0 HETATM 255 C UNK 0 20.224 10.639 0.000 0.00 0.00 C+0 HETATM 256 N UNK 0 20.224 9.099 0.000 0.00 0.00 N+0 HETATM 257 N UNK 0 18.891 11.409 0.000 0.00 0.00 N+0 HETATM 258 C UNK 0 26.893 12.949 0.000 0.00 0.00 C+0 HETATM 259 O UNK 0 28.226 13.719 0.000 0.00 0.00 O+0 HETATM 260 O UNK 0 25.559 13.719 0.000 0.00 0.00 O+0 HETATM 261 N UNK 0 148.257 10.639 0.000 0.00 0.00 N+0 HETATM 262 C UNK 0 149.591 11.409 0.000 0.00 0.00 C+0 HETATM 263 O UNK 0 149.591 12.949 0.000 0.00 0.00 O+0 HETATM 264 C UNK 0 150.925 10.639 0.000 0.00 0.00 C+0 HETATM 265 C UNK 0 150.925 9.099 0.000 0.00 0.00 C+0 HETATM 266 C UNK 0 149.591 8.329 0.000 0.00 0.00 C+0 HETATM 267 C UNK 0 148.184 8.955 0.000 0.00 0.00 C+0 HETATM 268 N UNK 0 147.154 7.811 0.000 0.00 0.00 N+0 HETATM 269 C UNK 0 147.924 6.477 0.000 0.00 0.00 C+0 HETATM 270 N UNK 0 149.430 6.797 0.000 0.00 0.00 N+0 HETATM 271 N UNK 0 152.258 11.409 0.000 0.00 0.00 N+0 HETATM 272 C UNK 0 153.592 10.639 0.000 0.00 0.00 C+0 HETATM 273 O UNK 0 153.592 9.099 0.000 0.00 0.00 O+0 HETATM 274 C UNK 0 154.926 11.409 0.000 0.00 0.00 C+0 HETATM 275 C UNK 0 154.926 12.949 0.000 0.00 0.00 C+0 HETATM 276 C UNK 0 153.592 13.719 0.000 0.00 0.00 C+0 HETATM 277 S UNK 0 153.592 15.259 0.000 0.00 0.00 S+0 HETATM 278 C UNK 0 152.258 16.029 0.000 0.00 0.00 C+0 HETATM 279 N UNK 0 156.260 10.639 0.000 0.00 0.00 N+0 HETATM 280 C UNK 0 157.593 11.409 0.000 0.00 0.00 C+0 HETATM 281 O UNK 0 157.593 12.949 0.000 0.00 0.00 O+0 HETATM 282 C UNK 0 158.927 10.639 0.000 0.00 0.00 C+0 HETATM 283 C UNK 0 158.927 9.099 0.000 0.00 0.00 C+0 HETATM 284 S UNK 0 157.593 8.329 0.000 0.00 0.00 S+0 HETATM 285 N UNK 0 160.261 11.409 0.000 0.00 0.00 N+0 HETATM 286 C UNK 0 161.594 10.639 0.000 0.00 0.00 C+0 HETATM 287 O UNK 0 161.594 9.099 0.000 0.00 0.00 O+0 HETATM 288 C UNK 0 162.928 11.409 0.000 0.00 0.00 C+0 HETATM 289 C UNK 0 162.928 12.949 0.000 0.00 0.00 C+0 HETATM 290 C UNK 0 164.262 13.719 0.000 0.00 0.00 C+0 HETATM 291 C UNK 0 161.594 13.719 0.000 0.00 0.00 C+0 HETATM 292 N UNK 0 164.262 10.639 0.000 0.00 0.00 N+0 HETATM 293 C UNK 0 165.595 11.409 0.000 0.00 0.00 C+0 HETATM 294 O UNK 0 165.595 12.949 0.000 0.00 0.00 O+0 HETATM 295 C UNK 0 166.929 10.639 0.000 0.00 0.00 C+0 HETATM 296 N UNK 0 168.263 11.409 0.000 0.00 0.00 N+0 HETATM 297 C UNK 0 169.596 10.639 0.000 0.00 0.00 C+0 HETATM 298 O UNK 0 169.596 9.099 0.000 0.00 0.00 O+0 HETATM 299 C UNK 0 170.930 11.409 0.000 0.00 0.00 C+0 HETATM 300 N UNK 0 172.264 10.639 0.000 0.00 0.00 N+0 HETATM 301 C UNK 0 173.597 11.409 0.000 0.00 0.00 C+0 HETATM 302 O UNK 0 173.597 12.949 0.000 0.00 0.00 O+0 HETATM 303 C UNK 0 174.931 10.639 0.000 0.00 0.00 C+0 HETATM 304 C UNK 0 174.931 9.099 0.000 0.00 0.00 C+0 HETATM 305 C UNK 0 173.597 8.329 0.000 0.00 0.00 C+0 HETATM 306 O UNK 0 173.597 6.789 0.000 0.00 0.00 O+0 HETATM 307 N UNK 0 172.264 9.099 0.000 0.00 0.00 N+0 HETATM 308 N UNK 0 176.265 11.409 0.000 0.00 0.00 N+0 HETATM 309 C UNK 0 177.598 10.639 0.000 0.00 0.00 C+0 HETATM 310 O UNK 0 177.598 9.099 0.000 0.00 0.00 O+0 HETATM 311 C UNK 0 178.932 11.409 0.000 0.00 0.00 C+0 HETATM 312 C UNK 0 178.932 12.949 0.000 0.00 0.00 C+0 HETATM 313 C UNK 0 177.598 13.719 0.000 0.00 0.00 C+0 HETATM 314 C UNK 0 176.265 12.949 0.000 0.00 0.00 C+0 HETATM 315 C UNK 0 177.598 15.259 0.000 0.00 0.00 C+0 HETATM 316 N UNK 0 180.266 10.639 0.000 0.00 0.00 N+0 HETATM 317 C UNK 0 181.599 11.409 0.000 0.00 0.00 C+0 HETATM 318 O UNK 0 181.599 12.949 0.000 0.00 0.00 O+0 HETATM 319 C UNK 0 182.933 10.639 0.000 0.00 0.00 C+0 HETATM 320 C UNK 0 182.933 9.099 0.000 0.00 0.00 C+0 HETATM 321 S UNK 0 181.599 8.329 0.000 0.00 0.00 S+0 HETATM 322 N UNK 0 184.267 11.409 0.000 0.00 0.00 N+0 HETATM 323 C UNK 0 185.600 10.639 0.000 0.00 0.00 C+0 HETATM 324 O UNK 0 185.600 9.099 0.000 0.00 0.00 O+0 HETATM 325 C UNK 0 186.934 11.409 0.000 0.00 0.00 C+0 HETATM 326 C UNK 0 186.934 12.949 0.000 0.00 0.00 C+0 HETATM 327 C UNK 0 185.600 13.719 0.000 0.00 0.00 C+0 HETATM 328 C UNK 0 184.267 12.949 0.000 0.00 0.00 C+0 HETATM 329 C UNK 0 182.933 13.719 0.000 0.00 0.00 C+0 HETATM 330 C UNK 0 182.933 15.259 0.000 0.00 0.00 C+0 HETATM 331 C UNK 0 184.267 16.029 0.000 0.00 0.00 C+0 HETATM 332 C UNK 0 185.600 15.259 0.000 0.00 0.00 C+0 HETATM 333 O UNK 0 181.599 16.029 0.000 0.00 0.00 O+0 HETATM 334 N UNK 0 188.268 10.639 0.000 0.00 0.00 N+0 HETATM 335 C UNK 0 189.601 11.409 0.000 0.00 0.00 C+0 HETATM 336 O UNK 0 189.601 12.949 0.000 0.00 0.00 O+0 HETATM 337 C UNK 0 190.935 10.639 0.000 0.00 0.00 C+0 HETATM 338 N UNK 0 192.269 11.409 0.000 0.00 0.00 N+0 HETATM 339 C UNK 0 193.603 10.639 0.000 0.00 0.00 C+0 HETATM 340 O UNK 0 193.603 9.099 0.000 0.00 0.00 O+0 HETATM 341 C UNK 0 194.936 11.409 0.000 0.00 0.00 C+0 HETATM 342 C UNK 0 194.936 12.949 0.000 0.00 0.00 C+0 HETATM 343 C UNK 0 193.603 13.719 0.000 0.00 0.00 C+0 HETATM 344 O UNK 0 192.269 12.949 0.000 0.00 0.00 O+0 HETATM 345 O UNK 0 193.603 15.259 0.000 0.00 0.00 O+0 HETATM 346 N UNK 0 196.270 10.639 0.000 0.00 0.00 N+0 HETATM 347 C UNK 0 197.604 11.409 0.000 0.00 0.00 C+0 HETATM 348 O UNK 0 197.604 12.949 0.000 0.00 0.00 O+0 HETATM 349 C UNK 0 198.937 10.639 0.000 0.00 0.00 C+0 HETATM 350 C UNK 0 198.937 9.099 0.000 0.00 0.00 C+0 HETATM 351 C UNK 0 197.604 8.329 0.000 0.00 0.00 C+0 HETATM 352 C UNK 0 197.604 6.789 0.000 0.00 0.00 C+0 HETATM 353 C UNK 0 196.270 6.019 0.000 0.00 0.00 C+0 HETATM 354 C UNK 0 194.936 6.789 0.000 0.00 0.00 C+0 HETATM 355 C UNK 0 194.936 8.329 0.000 0.00 0.00 C+0 HETATM 356 C UNK 0 196.270 9.099 0.000 0.00 0.00 C+0 HETATM 357 O UNK 0 193.603 6.019 0.000 0.00 0.00 O+0 HETATM 358 N UNK 0 200.271 11.409 0.000 0.00 0.00 N+0 HETATM 359 C UNK 0 201.605 10.639 0.000 0.00 0.00 C+0 HETATM 360 O UNK 0 201.605 9.099 0.000 0.00 0.00 O+0 HETATM 361 C UNK 0 202.938 11.409 0.000 0.00 0.00 C+0 HETATM 362 C UNK 0 202.938 12.949 0.000 0.00 0.00 C+0 HETATM 363 O UNK 0 201.605 13.719 0.000 0.00 0.00 O+0 HETATM 364 N UNK 0 204.272 10.639 0.000 0.00 0.00 N+0 HETATM 365 C UNK 0 205.606 11.409 0.000 0.00 0.00 C+0 HETATM 366 O UNK 0 205.606 12.949 0.000 0.00 0.00 O+0 HETATM 367 C UNK 0 206.939 10.639 0.000 0.00 0.00 C+0 HETATM 368 C UNK 0 206.939 9.099 0.000 0.00 0.00 C+0 HETATM 369 O UNK 0 205.606 8.329 0.000 0.00 0.00 O+0 HETATM 370 N UNK 0 208.273 11.409 0.000 0.00 0.00 N+0 HETATM 371 C UNK 0 209.607 10.639 0.000 0.00 0.00 C+0 HETATM 372 O UNK 0 209.607 9.099 0.000 0.00 0.00 O+0 HETATM 373 C UNK 0 210.940 11.409 0.000 0.00 0.00 C+0 HETATM 374 C UNK 0 211.101 12.941 0.000 0.00 0.00 C+0 HETATM 375 C UNK 0 212.608 13.261 0.000 0.00 0.00 C+0 HETATM 376 C UNK 0 213.378 11.927 0.000 0.00 0.00 C+0 HETATM 377 N UNK 0 212.347 10.783 0.000 0.00 0.00 N+0 HETATM 378 C UNK 0 212.667 9.276 0.000 0.00 0.00 C+0 HETATM 379 O UNK 0 211.523 8.246 0.000 0.00 0.00 O+0 HETATM 380 C UNK 0 214.132 8.800 0.000 0.00 0.00 C+0 HETATM 381 C UNK 0 215.276 9.831 0.000 0.00 0.00 C+0 HETATM 382 S UNK 0 216.741 9.355 0.000 0.00 0.00 S+0 HETATM 383 N UNK 0 214.452 7.294 0.000 0.00 0.00 N+0 HETATM 384 C UNK 0 215.917 6.818 0.000 0.00 0.00 C+0 HETATM 385 O UNK 0 217.061 7.849 0.000 0.00 0.00 O+0 HETATM 386 C UNK 0 216.237 5.312 0.000 0.00 0.00 C+0 HETATM 387 N UNK 0 217.702 4.836 0.000 0.00 0.00 N+0 HETATM 388 C UNK 0 218.022 3.330 0.000 0.00 0.00 C+0 HETATM 389 O UNK 0 216.877 2.299 0.000 0.00 0.00 O+0 HETATM 390 C UNK 0 219.486 2.854 0.000 0.00 0.00 C+0 HETATM 391 C UNK 0 219.962 1.389 0.000 0.00 0.00 C+0 HETATM 392 C UNK 0 221.502 1.389 0.000 0.00 0.00 C+0 HETATM 393 C UNK 0 221.978 2.854 0.000 0.00 0.00 C+0 HETATM 394 N UNK 0 220.732 3.759 0.000 0.00 0.00 N+0 HETATM 395 C UNK 0 220.732 5.299 0.000 0.00 0.00 C+0 HETATM 396 O UNK 0 219.399 6.069 0.000 0.00 0.00 O+0 HETATM 397 C UNK 0 222.066 6.069 0.000 0.00 0.00 C+0 HETATM 398 C UNK 0 222.066 7.609 0.000 0.00 0.00 C+0 HETATM 399 C UNK 0 223.400 8.379 0.000 0.00 0.00 C+0 HETATM 400 C UNK 0 223.400 9.919 0.000 0.00 0.00 C+0 HETATM 401 C UNK 0 224.733 10.689 0.000 0.00 0.00 C+0 HETATM 402 C UNK 0 226.067 9.919 0.000 0.00 0.00 C+0 HETATM 403 C UNK 0 226.067 8.379 0.000 0.00 0.00 C+0 HETATM 404 C UNK 0 224.733 7.609 0.000 0.00 0.00 C+0 HETATM 405 O UNK 0 227.401 10.689 0.000 0.00 0.00 O+0 HETATM 406 N UNK 0 223.400 5.299 0.000 0.00 0.00 N+0 HETATM 407 C UNK 0 224.733 6.069 0.000 0.00 0.00 C+0 HETATM 408 O UNK 0 225.639 7.315 0.000 0.00 0.00 O+0 HETATM 409 C UNK 0 226.067 5.299 0.000 0.00 0.00 C+0 HETATM 410 C UNK 0 226.067 3.759 0.000 0.00 0.00 C+0 HETATM 411 O UNK 0 224.733 2.989 0.000 0.00 0.00 O+0 HETATM 412 N UNK 0 227.401 6.069 0.000 0.00 0.00 N+0 HETATM 413 C UNK 0 228.734 5.299 0.000 0.00 0.00 C+0 HETATM 414 O UNK 0 228.734 3.759 0.000 0.00 0.00 O+0 HETATM 415 C UNK 0 230.068 6.069 0.000 0.00 0.00 C+0 HETATM 416 C UNK 0 231.402 5.299 0.000 0.00 0.00 C+0 HETATM 417 C UNK 0 232.735 6.069 0.000 0.00 0.00 C+0 HETATM 418 O UNK 0 234.069 5.299 0.000 0.00 0.00 O+0 HETATM 419 N UNK 0 232.735 7.609 0.000 0.00 0.00 N+0 HETATM 420 N UNK 0 230.068 7.609 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 261 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 15 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 CONECT 15 9 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 21 CONECT 19 18 20 CONECT 20 19 CONECT 21 18 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 25 29 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 CONECT 29 24 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 33 37 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 CONECT 37 32 38 39 CONECT 38 37 CONECT 39 37 40 CONECT 40 39 41 43 CONECT 41 40 42 CONECT 42 41 CONECT 43 40 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 55 CONECT 47 46 48 CONECT 48 47 49 53 CONECT 49 48 50 CONECT 50 49 51 CONECT 51 50 52 54 CONECT 52 51 53 CONECT 53 52 48 CONECT 54 51 CONECT 55 46 56 57 CONECT 56 55 CONECT 57 55 58 CONECT 58 57 59 62 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 CONECT 62 58 63 64 CONECT 63 62 CONECT 64 62 65 CONECT 65 64 66 68 CONECT 66 65 67 CONECT 67 66 CONECT 68 65 69 70 CONECT 69 68 CONECT 70 68 71 CONECT 71 70 72 76 CONECT 72 71 73 CONECT 73 72 74 75 CONECT 74 73 CONECT 75 73 CONECT 76 71 77 78 CONECT 77 76 CONECT 78 76 79 CONECT 79 78 80 82 CONECT 80 79 81 CONECT 81 80 CONECT 82 79 83 84 CONECT 83 82 CONECT 84 82 85 CONECT 85 84 86 89 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 CONECT 89 85 90 91 CONECT 90 89 CONECT 91 89 92 CONECT 92 91 93 97 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 96 CONECT 96 95 CONECT 97 92 98 99 CONECT 98 97 CONECT 99 97 100 CONECT 100 99 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 CONECT 104 103 105 113 CONECT 105 104 106 CONECT 106 105 107 111 CONECT 107 106 108 CONECT 108 107 109 CONECT 109 108 110 112 CONECT 110 109 111 CONECT 111 110 106 CONECT 112 109 CONECT 113 104 114 115 CONECT 114 113 CONECT 115 113 116 CONECT 116 115 117 119 CONECT 117 116 118 CONECT 118 117 CONECT 119 116 120 121 CONECT 120 119 CONECT 121 119 122 CONECT 122 121 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 126 CONECT 126 125 127 131 CONECT 127 126 128 CONECT 128 127 129 130 CONECT 129 128 CONECT 130 128 CONECT 131 126 132 133 CONECT 132 131 CONECT 133 131 134 CONECT 134 133 135 142 CONECT 135 134 136 CONECT 136 135 137 CONECT 137 136 138 CONECT 138 137 139 CONECT 139 138 140 141 CONECT 140 139 CONECT 141 139 CONECT 142 134 143 144 CONECT 143 142 CONECT 144 142 145 CONECT 145 144 146 148 CONECT 146 145 147 CONECT 147 146 CONECT 148 145 149 150 CONECT 149 148 CONECT 150 148 151 CONECT 151 150 152 157 CONECT 152 151 153 CONECT 153 152 154 CONECT 154 153 155 156 CONECT 155 154 CONECT 156 154 CONECT 157 151 158 159 CONECT 158 157 CONECT 159 157 160 CONECT 160 159 161 164 CONECT 161 160 162 163 CONECT 162 161 CONECT 163 161 CONECT 164 160 165 166 CONECT 165 164 CONECT 166 164 167 CONECT 167 166 168 175 CONECT 168 167 169 CONECT 169 168 170 CONECT 170 169 171 CONECT 171 170 172 CONECT 172 171 173 174 CONECT 173 172 CONECT 174 172 CONECT 175 167 176 177 CONECT 176 175 CONECT 177 175 178 CONECT 178 177 179 183 CONECT 179 178 180 CONECT 180 179 181 182 CONECT 181 180 CONECT 182 180 CONECT 183 178 184 185 CONECT 184 183 CONECT 185 183 186 CONECT 186 185 187 191 CONECT 187 186 188 CONECT 188 187 189 190 CONECT 189 188 CONECT 190 188 CONECT 191 186 192 193 CONECT 192 191 CONECT 193 191 194 CONECT 194 193 195 202 CONECT 195 194 196 CONECT 196 195 197 CONECT 197 196 198 CONECT 198 197 199 CONECT 199 198 200 201 CONECT 200 199 CONECT 201 199 CONECT 202 194 203 204 CONECT 203 202 CONECT 204 202 205 CONECT 205 204 206 216 CONECT 206 205 207 CONECT 207 206 208 215 CONECT 208 207 209 CONECT 209 208 210 CONECT 210 209 211 215 CONECT 211 210 212 CONECT 212 211 213 CONECT 213 212 214 CONECT 214 213 215 CONECT 215 214 210 207 CONECT 216 205 217 218 CONECT 217 216 CONECT 218 216 219 CONECT 219 218 220 230 CONECT 220 219 221 CONECT 221 220 222 229 CONECT 222 221 223 CONECT 223 222 224 CONECT 224 223 225 229 CONECT 225 224 226 CONECT 226 225 227 CONECT 227 226 228 CONECT 228 227 229 CONECT 229 228 224 221 CONECT 230 219 231 232 CONECT 231 230 CONECT 232 230 233 CONECT 233 232 234 239 CONECT 234 233 235 CONECT 235 234 236 CONECT 236 235 237 238 CONECT 237 236 CONECT 238 236 CONECT 239 233 240 241 CONECT 240 239 CONECT 241 239 242 CONECT 242 241 243 247 CONECT 243 242 244 CONECT 244 243 245 246 CONECT 245 244 CONECT 246 244 CONECT 247 242 248 249 CONECT 248 247 CONECT 249 247 250 CONECT 250 249 251 258 CONECT 251 250 252 CONECT 252 251 253 CONECT 253 252 254 CONECT 254 253 255 CONECT 255 254 256 257 CONECT 256 255 CONECT 257 255 CONECT 258 250 259 260 CONECT 259 258 CONECT 260 258 CONECT 261 5 262 CONECT 262 261 263 264 CONECT 263 262 CONECT 264 262 265 271 CONECT 265 264 266 CONECT 266 265 267 270 CONECT 267 266 268 CONECT 268 267 269 CONECT 269 268 270 CONECT 270 269 266 CONECT 271 264 272 CONECT 272 271 273 274 CONECT 273 272 CONECT 274 272 275 279 CONECT 275 274 276 CONECT 276 275 277 CONECT 277 276 278 CONECT 278 277 CONECT 279 274 280 CONECT 280 279 281 282 CONECT 281 280 CONECT 282 280 283 285 CONECT 283 282 284 CONECT 284 283 CONECT 285 282 286 CONECT 286 285 287 288 CONECT 287 286 CONECT 288 286 289 292 CONECT 289 288 290 291 CONECT 290 289 CONECT 291 289 CONECT 292 288 293 CONECT 293 292 294 295 CONECT 294 293 CONECT 295 293 296 CONECT 296 295 297 CONECT 297 296 298 299 CONECT 298 297 CONECT 299 297 300 CONECT 300 299 301 CONECT 301 300 302 303 CONECT 302 301 CONECT 303 301 304 308 CONECT 304 303 305 CONECT 305 304 306 307 CONECT 306 305 CONECT 307 305 CONECT 308 303 309 CONECT 309 308 310 311 CONECT 310 309 CONECT 311 309 312 316 CONECT 312 311 313 CONECT 313 312 314 315 CONECT 314 313 CONECT 315 313 CONECT 316 311 317 CONECT 317 316 318 319 CONECT 318 317 CONECT 319 317 320 322 CONECT 320 319 321 CONECT 321 320 CONECT 322 319 323 CONECT 323 322 324 325 CONECT 324 323 CONECT 325 323 326 334 CONECT 326 325 327 CONECT 327 326 328 332 CONECT 328 327 329 CONECT 329 328 330 CONECT 330 329 331 333 CONECT 331 330 332 CONECT 332 331 327 CONECT 333 330 CONECT 334 325 335 CONECT 335 334 336 337 CONECT 336 335 CONECT 337 335 338 CONECT 338 337 339 CONECT 339 338 340 341 CONECT 340 339 CONECT 341 339 342 346 CONECT 342 341 343 CONECT 343 342 344 345 CONECT 344 343 CONECT 345 343 CONECT 346 341 347 CONECT 347 346 348 349 CONECT 348 347 CONECT 349 347 350 358 CONECT 350 349 351 CONECT 351 350 352 356 CONECT 352 351 353 CONECT 353 352 354 CONECT 354 353 355 357 CONECT 355 354 356 CONECT 356 355 351 CONECT 357 354 CONECT 358 349 359 CONECT 359 358 360 361 CONECT 360 359 CONECT 361 359 362 364 CONECT 362 361 363 CONECT 363 362 CONECT 364 361 365 CONECT 365 364 366 367 CONECT 366 365 CONECT 367 365 368 370 CONECT 368 367 369 CONECT 369 368 CONECT 370 367 371 CONECT 371 370 372 373 CONECT 372 371 CONECT 373 371 374 377 CONECT 374 373 375 CONECT 375 374 376 CONECT 376 375 377 CONECT 377 376 373 378 CONECT 378 377 379 380 CONECT 379 378 CONECT 380 378 381 383 CONECT 381 380 382 CONECT 382 381 CONECT 383 380 384 CONECT 384 383 385 386 CONECT 385 384 CONECT 386 384 387 CONECT 387 386 388 CONECT 388 387 389 390 CONECT 389 388 CONECT 390 388 391 394 CONECT 391 390 392 CONECT 392 391 393 CONECT 393 392 394 CONECT 394 393 390 395 CONECT 395 394 396 397 CONECT 396 395 CONECT 397 395 398 406 CONECT 398 397 399 CONECT 399 398 400 404 CONECT 400 399 401 CONECT 401 400 402 CONECT 402 401 403 405 CONECT 403 402 404 CONECT 404 403 399 CONECT 405 402 CONECT 406 397 407 CONECT 407 406 408 409 CONECT 408 407 CONECT 409 407 410 412 CONECT 410 409 411 CONECT 411 410 CONECT 412 409 413 CONECT 413 412 414 415 CONECT 414 413 CONECT 415 413 416 420 CONECT 416 415 417 CONECT 417 416 418 419 CONECT 418 417 CONECT 419 417 CONECT 420 415 MASTER 0 0 0 0 0 0 0 0 420 0 862 0 END 3D PDB for HMDB0251846 (Epidermal growth factor)COMPND HMDB0251846 HETATM 1 C1 UNL 1 -3.319 4.370 -11.203 1.00 0.00 C HETATM 2 C2 UNL 1 -4.101 3.136 -10.978 1.00 0.00 C HETATM 3 C3 UNL 1 -5.612 3.276 -11.253 1.00 0.00 C HETATM 4 C4 UNL 1 -6.088 4.519 -10.545 1.00 0.00 C HETATM 5 C5 UNL 1 -6.166 2.045 -10.546 1.00 0.00 C HETATM 6 N1 UNL 1 -7.560 1.903 -10.788 1.00 0.00 N HETATM 7 C6 UNL 1 -8.641 2.659 -11.261 1.00 0.00 C HETATM 8 O1 UNL 1 -8.564 3.807 -11.665 1.00 0.00 O HETATM 9 C7 UNL 1 -9.991 1.926 -11.152 1.00 0.00 C HETATM 10 C8 UNL 1 -10.496 1.338 -12.391 1.00 0.00 C HETATM 11 C9 UNL 1 -9.303 0.701 -13.077 1.00 0.00 C HETATM 12 C10 UNL 1 -8.597 1.577 -13.976 1.00 0.00 C HETATM 13 N2 UNL 1 -7.573 0.879 -14.361 1.00 0.00 N HETATM 14 C11 UNL 1 -7.579 -0.377 -13.762 1.00 0.00 C HETATM 15 N3 UNL 1 -8.672 -0.391 -13.000 1.00 0.00 N HETATM 16 N4 UNL 1 -10.494 1.952 -9.890 1.00 0.00 N HETATM 17 C12 UNL 1 -11.898 2.114 -9.573 1.00 0.00 C HETATM 18 O2 UNL 1 -12.728 2.141 -10.565 1.00 0.00 O HETATM 19 C13 UNL 1 -12.320 2.279 -8.241 1.00 0.00 C HETATM 20 C14 UNL 1 -13.352 3.570 -8.380 1.00 0.00 C HETATM 21 C15 UNL 1 -12.541 4.508 -9.166 1.00 0.00 C HETATM 22 S1 UNL 1 -13.051 6.254 -9.222 1.00 0.00 S HETATM 23 C16 UNL 1 -11.641 7.269 -8.557 1.00 0.00 C HETATM 24 N5 UNL 1 -11.651 2.664 -7.135 1.00 0.00 N HETATM 25 C17 UNL 1 -11.698 3.546 -6.101 1.00 0.00 C HETATM 26 O3 UNL 1 -12.299 4.590 -5.834 1.00 0.00 O HETATM 27 C18 UNL 1 -10.827 3.027 -4.923 1.00 0.00 C HETATM 28 C19 UNL 1 -10.772 1.522 -4.960 1.00 0.00 C HETATM 29 S2 UNL 1 -12.468 0.782 -4.761 1.00 0.00 S HETATM 30 N6 UNL 1 -10.630 3.690 -3.798 1.00 0.00 N HETATM 31 C20 UNL 1 -10.653 4.953 -3.255 1.00 0.00 C HETATM 32 O4 UNL 1 -10.681 6.005 -3.924 1.00 0.00 O HETATM 33 C21 UNL 1 -10.668 5.021 -1.745 1.00 0.00 C HETATM 34 N7 UNL 1 -9.525 5.488 -1.222 1.00 0.00 N HETATM 35 C22 UNL 1 -9.070 6.188 -0.117 1.00 0.00 C HETATM 36 O5 UNL 1 -9.792 6.578 0.818 1.00 0.00 O HETATM 37 C23 UNL 1 -7.608 6.440 -0.099 1.00 0.00 C HETATM 38 N8 UNL 1 -7.043 6.645 1.166 1.00 0.00 N HETATM 39 C24 UNL 1 -5.607 6.532 1.165 1.00 0.00 C HETATM 40 O6 UNL 1 -4.975 6.327 0.112 1.00 0.00 O HETATM 41 C25 UNL 1 -4.937 6.620 2.452 1.00 0.00 C HETATM 42 N9 UNL 1 -3.574 6.214 2.256 1.00 0.00 N HETATM 43 C26 UNL 1 -2.699 6.012 3.326 1.00 0.00 C HETATM 44 O7 UNL 1 -3.116 6.075 4.484 1.00 0.00 O HETATM 45 C27 UNL 1 -1.269 5.731 3.049 1.00 0.00 C HETATM 46 C28 UNL 1 -0.702 7.121 3.747 1.00 0.00 C HETATM 47 C29 UNL 1 -1.593 8.193 3.388 1.00 0.00 C HETATM 48 N10 UNL 1 -1.749 8.995 2.284 1.00 0.00 N HETATM 49 O8 UNL 1 -2.445 8.556 4.387 1.00 0.00 O HETATM 50 N11 UNL 1 -0.886 4.800 4.095 1.00 0.00 N HETATM 51 C30 UNL 1 0.417 4.746 4.712 1.00 0.00 C HETATM 52 O9 UNL 1 1.306 5.456 4.259 1.00 0.00 O HETATM 53 C31 UNL 1 0.591 3.860 5.848 1.00 0.00 C HETATM 54 C32 UNL 1 1.107 4.687 7.081 1.00 0.00 C HETATM 55 C33 UNL 1 0.279 5.769 7.519 1.00 0.00 C HETATM 56 C34 UNL 1 -1.195 5.414 7.641 1.00 0.00 C HETATM 57 C35 UNL 1 0.679 7.132 7.219 1.00 0.00 C HETATM 58 N12 UNL 1 1.612 2.872 5.810 1.00 0.00 N HETATM 59 C36 UNL 1 2.571 2.514 4.882 1.00 0.00 C HETATM 60 O10 UNL 1 2.579 3.129 3.789 1.00 0.00 O HETATM 61 C37 UNL 1 3.531 1.447 5.144 1.00 0.00 C HETATM 62 C38 UNL 1 4.834 2.404 5.462 1.00 0.00 C HETATM 63 S3 UNL 1 4.408 3.379 6.840 1.00 0.00 S HETATM 64 N13 UNL 1 4.111 0.642 4.192 1.00 0.00 N HETATM 65 C39 UNL 1 4.654 -0.660 4.681 1.00 0.00 C HETATM 66 O11 UNL 1 4.402 -0.930 5.850 1.00 0.00 O HETATM 67 C40 UNL 1 5.432 -1.367 3.743 1.00 0.00 C HETATM 68 C41 UNL 1 6.899 -0.819 4.065 1.00 0.00 C HETATM 69 C42 UNL 1 7.897 -1.328 3.183 1.00 0.00 C HETATM 70 C43 UNL 1 8.808 -2.352 3.384 1.00 0.00 C HETATM 71 C44 UNL 1 9.806 -2.776 2.556 1.00 0.00 C HETATM 72 C45 UNL 1 9.918 -2.083 1.357 1.00 0.00 C HETATM 73 O12 UNL 1 10.927 -2.556 0.533 1.00 0.00 O HETATM 74 C46 UNL 1 9.088 -1.096 1.072 1.00 0.00 C HETATM 75 C47 UNL 1 8.094 -0.676 1.936 1.00 0.00 C HETATM 76 N14 UNL 1 5.515 -2.642 3.246 1.00 0.00 N HETATM 77 C48 UNL 1 6.320 -3.783 3.550 1.00 0.00 C HETATM 78 O13 UNL 1 7.041 -3.982 4.561 1.00 0.00 O HETATM 79 C49 UNL 1 6.351 -4.693 2.477 1.00 0.00 C HETATM 80 N15 UNL 1 6.620 -5.985 2.348 1.00 0.00 N HETATM 81 C50 UNL 1 6.664 -6.506 0.998 1.00 0.00 C HETATM 82 O14 UNL 1 6.734 -5.683 0.017 1.00 0.00 O HETATM 83 C51 UNL 1 6.561 -7.890 0.733 1.00 0.00 C HETATM 84 C52 UNL 1 7.698 -8.785 0.759 1.00 0.00 C HETATM 85 C53 UNL 1 8.730 -8.493 -0.277 1.00 0.00 C HETATM 86 O15 UNL 1 9.598 -7.634 -0.110 1.00 0.00 O HETATM 87 O16 UNL 1 8.652 -9.188 -1.499 1.00 0.00 O HETATM 88 N16 UNL 1 5.937 -8.016 -0.636 1.00 0.00 N HETATM 89 C54 UNL 1 4.688 -8.553 -0.820 1.00 0.00 C HETATM 90 O17 UNL 1 3.965 -8.929 0.148 1.00 0.00 O HETATM 91 C55 UNL 1 4.059 -8.760 -2.187 1.00 0.00 C HETATM 92 C56 UNL 1 4.758 -10.012 -2.559 1.00 0.00 C HETATM 93 C57 UNL 1 4.469 -10.946 -3.644 1.00 0.00 C HETATM 94 C58 UNL 1 3.704 -12.021 -3.257 1.00 0.00 C HETATM 95 C59 UNL 1 3.575 -13.078 -4.094 1.00 0.00 C HETATM 96 C60 UNL 1 4.174 -13.055 -5.300 1.00 0.00 C HETATM 97 O18 UNL 1 4.041 -14.189 -6.124 1.00 0.00 O HETATM 98 C61 UNL 1 4.863 -12.044 -5.704 1.00 0.00 C HETATM 99 C62 UNL 1 5.035 -10.925 -4.860 1.00 0.00 C HETATM 100 N17 UNL 1 2.657 -8.760 -2.273 1.00 0.00 N HETATM 101 C63 UNL 1 1.936 -8.428 -3.480 1.00 0.00 C HETATM 102 O19 UNL 1 2.643 -8.206 -4.506 1.00 0.00 O HETATM 103 C64 UNL 1 0.504 -8.295 -3.648 1.00 0.00 C HETATM 104 C65 UNL 1 -0.163 -8.045 -2.241 1.00 0.00 C HETATM 105 O20 UNL 1 0.092 -9.198 -1.535 1.00 0.00 O HETATM 106 N18 UNL 1 -0.038 -7.338 -4.514 1.00 0.00 N HETATM 107 C66 UNL 1 -0.728 -6.085 -4.234 1.00 0.00 C HETATM 108 O21 UNL 1 -0.721 -5.646 -3.084 1.00 0.00 O HETATM 109 C67 UNL 1 -1.381 -5.437 -5.349 1.00 0.00 C HETATM 110 C68 UNL 1 -2.168 -6.648 -6.014 1.00 0.00 C HETATM 111 O22 UNL 1 -2.119 -7.681 -5.074 1.00 0.00 O HETATM 112 N19 UNL 1 -1.456 -4.317 -6.059 1.00 0.00 N HETATM 113 C69 UNL 1 -1.867 -2.966 -5.920 1.00 0.00 C HETATM 114 O23 UNL 1 -2.260 -2.545 -4.855 1.00 0.00 O HETATM 115 C70 UNL 1 -1.818 -2.084 -7.177 1.00 0.00 C HETATM 116 C71 UNL 1 -3.299 -2.248 -7.645 1.00 0.00 C HETATM 117 C72 UNL 1 -3.966 -1.550 -6.462 1.00 0.00 C HETATM 118 C73 UNL 1 -2.941 -0.487 -6.046 1.00 0.00 C HETATM 119 N20 UNL 1 -1.814 -0.691 -6.887 1.00 0.00 N HETATM 120 C74 UNL 1 -0.705 0.251 -7.255 1.00 0.00 C HETATM 121 O24 UNL 1 -0.101 -0.080 -8.282 1.00 0.00 O HETATM 122 C75 UNL 1 -0.546 1.398 -6.402 1.00 0.00 C HETATM 123 C76 UNL 1 -1.330 2.631 -6.980 1.00 0.00 C HETATM 124 S4 UNL 1 -1.978 3.544 -5.542 1.00 0.00 S HETATM 125 N21 UNL 1 0.668 1.892 -5.915 1.00 0.00 N HETATM 126 C77 UNL 1 1.628 2.923 -5.993 1.00 0.00 C HETATM 127 O25 UNL 1 1.797 3.843 -6.815 1.00 0.00 O HETATM 128 C78 UNL 1 2.557 3.011 -4.868 1.00 0.00 C HETATM 129 N22 UNL 1 3.476 3.382 -4.081 1.00 0.00 N HETATM 130 C79 UNL 1 4.273 4.210 -3.248 1.00 0.00 C HETATM 131 O26 UNL 1 4.212 5.410 -3.098 1.00 0.00 O HETATM 132 C80 UNL 1 5.395 3.518 -2.501 1.00 0.00 C HETATM 133 C81 UNL 1 6.537 3.365 -3.480 1.00 0.00 C HETATM 134 C82 UNL 1 7.079 4.771 -3.497 1.00 0.00 C HETATM 135 C83 UNL 1 6.820 5.234 -2.100 1.00 0.00 C HETATM 136 N23 UNL 1 5.903 4.315 -1.409 1.00 0.00 N HETATM 137 C84 UNL 1 5.630 4.355 -0.047 1.00 0.00 C HETATM 138 O27 UNL 1 5.426 3.222 0.521 1.00 0.00 O HETATM 139 C85 UNL 1 5.576 5.462 0.959 1.00 0.00 C HETATM 140 C86 UNL 1 4.200 5.179 1.734 1.00 0.00 C HETATM 141 C87 UNL 1 3.942 6.246 2.704 1.00 0.00 C HETATM 142 C88 UNL 1 4.379 6.346 3.981 1.00 0.00 C HETATM 143 C89 UNL 1 4.410 7.350 4.744 1.00 0.00 C HETATM 144 C90 UNL 1 3.873 8.590 4.297 1.00 0.00 C HETATM 145 O28 UNL 1 3.827 9.743 4.932 1.00 0.00 O HETATM 146 C91 UNL 1 3.332 8.551 2.982 1.00 0.00 C HETATM 147 C92 UNL 1 3.377 7.468 2.266 1.00 0.00 C HETATM 148 N24 UNL 1 6.547 5.298 2.029 1.00 0.00 N HETATM 149 C93 UNL 1 7.066 6.511 2.626 1.00 0.00 C HETATM 150 O29 UNL 1 6.678 7.598 2.258 1.00 0.00 O HETATM 151 C94 UNL 1 8.099 6.422 3.728 1.00 0.00 C HETATM 152 C95 UNL 1 7.652 5.856 5.104 1.00 0.00 C HETATM 153 O30 UNL 1 6.927 4.722 5.024 1.00 0.00 O HETATM 154 N25 UNL 1 9.316 7.015 3.863 1.00 0.00 N HETATM 155 C96 UNL 1 10.421 7.851 3.645 1.00 0.00 C HETATM 156 O31 UNL 1 10.574 8.742 3.021 1.00 0.00 O HETATM 157 C97 UNL 1 11.334 7.176 4.707 1.00 0.00 C HETATM 158 N26 UNL 1 11.033 7.635 5.938 1.00 0.00 N HETATM 159 C98 UNL 1 12.712 7.181 4.173 1.00 0.00 C HETATM 160 C99 UNL 1 13.703 6.353 4.906 1.00 0.00 C HETATM 161 N27 UNL 1 14.603 5.640 4.026 1.00 0.00 N HETATM 162 O32 UNL 1 13.752 6.237 6.122 1.00 0.00 O HETATM 163 CA0 UNL 1 -11.518 3.952 -1.151 1.00 0.00 C HETATM 164 CA1 UNL 1 -11.137 2.540 -1.294 1.00 0.00 C HETATM 165 CA2 UNL 1 -12.095 4.353 0.172 1.00 0.00 C HETATM 166 CA3 UNL 1 -6.331 2.503 -9.038 1.00 0.00 C HETATM 167 O33 UNL 1 -5.969 3.609 -8.754 1.00 0.00 O HETATM 168 N28 UNL 1 -6.895 1.515 -8.245 1.00 0.00 N HETATM 169 CA4 UNL 1 -7.580 1.450 -6.980 1.00 0.00 C HETATM 170 CA5 UNL 1 -7.070 2.480 -6.046 1.00 0.00 C HETATM 171 CA6 UNL 1 -7.493 3.855 -6.545 1.00 0.00 C HETATM 172 CA7 UNL 1 -6.644 4.917 -5.969 1.00 0.00 C HETATM 173 O34 UNL 1 -7.031 6.078 -5.883 1.00 0.00 O HETATM 174 O35 UNL 1 -5.374 4.465 -5.548 1.00 0.00 O HETATM 175 CA8 UNL 1 -7.792 0.091 -6.609 1.00 0.00 C HETATM 176 O36 UNL 1 -7.108 -0.520 -5.716 1.00 0.00 O HETATM 177 N29 UNL 1 -8.824 -0.757 -7.319 1.00 0.00 N HETATM 178 CA9 UNL 1 -8.883 -2.050 -6.903 1.00 0.00 C HETATM 179 CB0 UNL 1 -10.001 -2.851 -6.499 1.00 0.00 C HETATM 180 O37 UNL 1 -10.916 -3.376 -7.347 1.00 0.00 O HETATM 181 CB1 UNL 1 -7.972 -3.035 -7.962 1.00 0.00 C HETATM 182 O38 UNL 1 -7.576 -2.486 -8.621 1.00 0.00 O HETATM 183 N30 UNL 1 -8.357 -4.404 -7.114 1.00 0.00 N HETATM 184 CB2 UNL 1 -7.183 -5.053 -8.076 1.00 0.00 C HETATM 185 CB3 UNL 1 -7.306 -5.873 -9.177 1.00 0.00 C HETATM 186 CB4 UNL 1 -5.993 -5.911 -10.058 1.00 0.00 C HETATM 187 CB5 UNL 1 -5.535 -4.537 -10.426 1.00 0.00 C HETATM 188 CB6 UNL 1 -4.973 -6.891 -10.020 1.00 0.00 C HETATM 189 CB7 UNL 1 -6.771 -5.832 -6.724 1.00 0.00 C HETATM 190 O39 UNL 1 -6.266 -5.027 -5.862 1.00 0.00 O HETATM 191 N31 UNL 1 -6.934 -7.156 -6.453 1.00 0.00 N HETATM 192 CB8 UNL 1 -6.458 -7.828 -5.305 1.00 0.00 C HETATM 193 CB9 UNL 1 -6.017 -9.202 -5.783 1.00 0.00 C HETATM 194 CC0 UNL 1 -5.425 -10.118 -4.852 1.00 0.00 C HETATM 195 O40 UNL 1 -5.622 -11.360 -4.988 1.00 0.00 O HETATM 196 O41 UNL 1 -4.565 -9.704 -3.848 1.00 0.00 O HETATM 197 CC1 UNL 1 -6.896 -7.689 -3.925 1.00 0.00 C HETATM 198 O42 UNL 1 -7.169 -6.498 -3.536 1.00 0.00 O HETATM 199 N32 UNL 1 -6.979 -8.812 -3.075 1.00 0.00 N HETATM 200 CC2 UNL 1 -7.138 -8.967 -1.701 1.00 0.00 C HETATM 201 CC3 UNL 1 -8.533 -9.273 -1.268 1.00 0.00 C HETATM 202 O43 UNL 1 -9.009 -10.353 -1.965 1.00 0.00 O HETATM 203 CC4 UNL 1 -6.753 -7.711 -0.988 1.00 0.00 C HETATM 204 O44 UNL 1 -6.337 -6.724 -1.555 1.00 0.00 O HETATM 205 N33 UNL 1 -6.904 -7.744 0.459 1.00 0.00 N HETATM 206 CC5 UNL 1 -6.630 -6.519 1.046 1.00 0.00 C HETATM 207 CC6 UNL 1 -7.951 -5.622 0.666 1.00 0.00 C HETATM 208 CC7 UNL 1 -9.118 -6.310 1.200 1.00 0.00 C HETATM 209 CC8 UNL 1 -10.352 -5.652 1.023 1.00 0.00 C HETATM 210 CC9 UNL 1 -11.551 -6.221 1.423 1.00 0.00 C HETATM 211 CD0 UNL 1 -11.594 -7.435 1.997 1.00 0.00 C HETATM 212 O45 UNL 1 -12.720 -8.047 2.427 1.00 0.00 O HETATM 213 CD1 UNL 1 -10.369 -8.092 2.230 1.00 0.00 C HETATM 214 CD2 UNL 1 -9.189 -7.497 1.825 1.00 0.00 C HETATM 215 CD3 UNL 1 -6.423 -6.251 2.481 1.00 0.00 C HETATM 216 O46 UNL 1 -7.128 -6.098 3.334 1.00 0.00 O HETATM 217 N34 UNL 1 -4.958 -5.939 2.532 1.00 0.00 N HETATM 218 CD4 UNL 1 -3.806 -5.551 2.835 1.00 0.00 C HETATM 219 CD5 UNL 1 -3.352 -5.335 4.286 1.00 0.00 C HETATM 220 O47 UNL 1 -3.622 -6.029 5.213 1.00 0.00 O HETATM 221 N35 UNL 1 -2.558 -4.168 4.346 1.00 0.00 N HETATM 222 CD6 UNL 1 -2.019 -3.580 5.516 1.00 0.00 C HETATM 223 CD7 UNL 1 -0.872 -4.555 5.979 1.00 0.00 C HETATM 224 S5 UNL 1 0.237 -4.898 4.599 1.00 0.00 S HETATM 225 CD8 UNL 1 -1.616 -2.207 5.549 1.00 0.00 C HETATM 226 O48 UNL 1 -1.467 -1.613 4.449 1.00 0.00 O HETATM 227 N36 UNL 1 -1.372 -1.422 6.747 1.00 0.00 N HETATM 228 CD9 UNL 1 -0.867 -0.023 6.628 1.00 0.00 C HETATM 229 CE0 UNL 1 0.601 -0.121 7.084 1.00 0.00 C HETATM 230 CE1 UNL 1 0.902 -0.176 8.509 1.00 0.00 C HETATM 231 N37 UNL 1 2.218 0.381 8.886 1.00 0.00 N HETATM 232 O49 UNL 1 0.281 -0.537 9.515 1.00 0.00 O HETATM 233 CE2 UNL 1 -1.537 0.655 7.845 1.00 0.00 C HETATM 234 O50 UNL 1 -0.851 0.957 8.824 1.00 0.00 O HETATM 235 N38 UNL 1 -2.901 0.831 7.831 1.00 0.00 N HETATM 236 CE3 UNL 1 -3.910 1.102 8.809 1.00 0.00 C HETATM 237 CE4 UNL 1 -3.276 1.590 10.155 1.00 0.00 C HETATM 238 S6 UNL 1 -2.506 3.145 10.074 1.00 0.00 S HETATM 239 CE5 UNL 1 -4.730 2.290 8.390 1.00 0.00 C HETATM 240 O51 UNL 1 -4.230 3.445 8.345 1.00 0.00 O HETATM 241 N39 UNL 1 -6.023 2.033 7.958 1.00 0.00 N HETATM 242 CE6 UNL 1 -6.947 3.009 7.319 1.00 0.00 C HETATM 243 CE7 UNL 1 -7.817 2.053 6.587 1.00 0.00 C HETATM 244 O52 UNL 1 -8.733 1.564 7.275 1.00 0.00 O HETATM 245 N40 UNL 1 -7.589 1.711 5.239 1.00 0.00 N HETATM 246 CE8 UNL 1 -8.400 0.584 4.652 1.00 0.00 C HETATM 247 CE9 UNL 1 -9.191 0.112 5.839 1.00 0.00 C HETATM 248 O53 UNL 1 -10.136 0.749 6.270 1.00 0.00 O HETATM 249 N41 UNL 1 -8.708 -1.067 6.433 1.00 0.00 N HETATM 250 CF0 UNL 1 -8.991 -1.679 7.710 1.00 0.00 C HETATM 251 CF1 UNL 1 -7.917 -2.757 7.669 1.00 0.00 C HETATM 252 O54 UNL 1 -8.280 -3.854 7.245 1.00 0.00 O HETATM 253 N42 UNL 1 -6.622 -2.417 8.084 1.00 0.00 N HETATM 254 CF2 UNL 1 -5.377 -2.928 7.956 1.00 0.00 C HETATM 255 CF3 UNL 1 -5.518 -3.440 6.444 1.00 0.00 C HETATM 256 CF4 UNL 1 -5.480 -2.362 5.493 1.00 0.00 C HETATM 257 CF5 UNL 1 -5.379 -2.839 4.159 1.00 0.00 C HETATM 258 CF6 UNL 1 -4.975 -2.003 3.138 1.00 0.00 C HETATM 259 CF7 UNL 1 -4.652 -0.763 3.392 1.00 0.00 C HETATM 260 O55 UNL 1 -4.198 0.096 2.367 1.00 0.00 O HETATM 261 CF8 UNL 1 -4.756 -0.231 4.643 1.00 0.00 C HETATM 262 CF9 UNL 1 -5.182 -1.030 5.756 1.00 0.00 C HETATM 263 CG0 UNL 1 -4.632 -3.963 8.647 1.00 0.00 C HETATM 264 O56 UNL 1 -5.038 -5.175 8.739 1.00 0.00 O HETATM 265 N43 UNL 1 -3.413 -3.640 9.261 1.00 0.00 N HETATM 266 CG1 UNL 1 -2.444 -4.239 10.034 1.00 0.00 C HETATM 267 CG2 UNL 1 -3.145 -5.684 10.394 1.00 0.00 C HETATM 268 O57 UNL 1 -4.319 -5.349 11.010 1.00 0.00 O HETATM 269 CG3 UNL 1 -1.195 -4.697 9.410 1.00 0.00 C HETATM 270 O58 UNL 1 -1.030 -5.770 8.787 1.00 0.00 O HETATM 271 N44 UNL 1 -0.081 -3.757 9.525 1.00 0.00 N HETATM 272 CG4 UNL 1 1.153 -3.899 9.005 1.00 0.00 C HETATM 273 CG5 UNL 1 2.316 -3.165 9.634 1.00 0.00 C HETATM 274 O59 UNL 1 2.148 -2.637 10.736 1.00 0.00 O HETATM 275 N45 UNL 1 3.503 -3.187 8.930 1.00 0.00 N HETATM 276 CG6 UNL 1 4.828 -3.022 8.906 1.00 0.00 C HETATM 277 CG7 UNL 1 5.333 -4.120 7.927 1.00 0.00 C HETATM 278 CG8 UNL 1 6.721 -4.467 8.000 1.00 0.00 C HETATM 279 O60 UNL 1 7.608 -3.834 8.590 1.00 0.00 O HETATM 280 O61 UNL 1 7.134 -5.707 7.422 1.00 0.00 O HETATM 281 CG9 UNL 1 5.752 -1.970 9.231 1.00 0.00 C HETATM 282 O62 UNL 1 5.693 -1.472 10.427 1.00 0.00 O HETATM 283 N46 UNL 1 6.698 -1.500 8.276 1.00 0.00 N HETATM 284 CH0 UNL 1 7.751 -0.691 8.159 1.00 0.00 C HETATM 285 CH1 UNL 1 7.930 0.078 9.614 1.00 0.00 C HETATM 286 CH2 UNL 1 8.313 -0.903 10.620 1.00 0.00 C HETATM 287 CH3 UNL 1 8.336 -0.335 12.010 1.00 0.00 C HETATM 288 N47 UNL 1 8.177 -1.490 12.921 1.00 0.00 N HETATM 289 CH4 UNL 1 6.877 -1.789 13.428 1.00 0.00 C HETATM 290 N48 UNL 1 6.342 -2.912 13.364 1.00 0.00 N HETATM 291 N49 UNL 1 6.059 -0.730 13.942 1.00 0.00 N HETATM 292 CH5 UNL 1 7.967 0.441 7.332 1.00 0.00 C HETATM 293 O63 UNL 1 7.275 1.464 7.327 1.00 0.00 O HETATM 294 N50 UNL 1 9.138 0.401 6.421 1.00 0.00 N HETATM 295 CH6 UNL 1 9.478 1.682 5.879 1.00 0.00 C HETATM 296 CH7 UNL 1 10.787 1.874 6.800 1.00 0.00 C HETATM 297 S7 UNL 1 11.021 3.614 7.060 1.00 0.00 S HETATM 298 CH8 UNL 1 9.906 1.648 4.470 1.00 0.00 C HETATM 299 O64 UNL 1 10.038 0.557 3.900 1.00 0.00 O HETATM 300 N51 UNL 1 10.144 2.845 3.788 1.00 0.00 N HETATM 301 CH9 UNL 1 10.462 2.926 2.425 1.00 0.00 C HETATM 302 CI0 UNL 1 11.504 1.744 2.131 1.00 0.00 C HETATM 303 CI1 UNL 1 12.652 1.888 3.043 1.00 0.00 C HETATM 304 CI2 UNL 1 13.505 0.658 3.157 1.00 0.00 C HETATM 305 N52 UNL 1 13.107 -0.581 2.635 1.00 0.00 N HETATM 306 O65 UNL 1 14.638 0.810 3.643 1.00 0.00 O HETATM 307 CI3 UNL 1 11.071 4.127 1.899 1.00 0.00 C HETATM 308 O66 UNL 1 12.159 4.568 2.357 1.00 0.00 O HETATM 309 N53 UNL 1 10.442 4.817 0.846 1.00 0.00 N HETATM 310 CI4 UNL 1 10.623 5.821 -0.017 1.00 0.00 C HETATM 311 CI5 UNL 1 10.258 7.190 -0.284 1.00 0.00 C HETATM 312 O67 UNL 1 11.023 8.180 -0.124 1.00 0.00 O HETATM 313 N54 UNL 1 8.957 7.423 -0.834 1.00 0.00 N HETATM 314 CI6 UNL 1 8.377 8.541 -1.522 1.00 0.00 C HETATM 315 CI7 UNL 1 9.243 9.752 -1.304 1.00 0.00 C HETATM 316 CI8 UNL 1 8.901 10.903 -2.197 1.00 0.00 C HETATM 317 CI9 UNL 1 9.454 10.843 -3.576 1.00 0.00 C HETATM 318 N55 UNL 1 9.048 9.983 -4.593 1.00 0.00 N HETATM 319 CJ0 UNL 1 8.441 10.636 -5.757 1.00 0.00 C HETATM 320 N56 UNL 1 7.187 10.712 -5.905 1.00 0.00 N HETATM 321 N57 UNL 1 9.334 11.242 -6.672 1.00 0.00 N HETATM 322 CJ1 UNL 1 7.013 8.798 -1.101 1.00 0.00 C HETATM 323 O68 UNL 1 6.734 8.978 0.131 1.00 0.00 O HETATM 324 N58 UNL 1 5.834 8.804 -1.959 1.00 0.00 N HETATM 325 CJ2 UNL 1 4.569 8.952 -1.255 1.00 0.00 C HETATM 326 CJ3 UNL 1 4.225 10.446 -1.400 1.00 0.00 C HETATM 327 CJ4 UNL 1 3.124 10.890 -0.563 1.00 0.00 C HETATM 328 O69 UNL 1 3.365 10.851 0.709 1.00 0.00 O HETATM 329 O70 UNL 1 1.897 11.272 -0.929 1.00 0.00 O HETATM 330 CJ5 UNL 1 3.519 8.146 -2.012 1.00 0.00 C HETATM 331 O71 UNL 1 3.402 8.501 -3.211 1.00 0.00 O HETATM 332 N59 UNL 1 2.824 7.139 -1.390 1.00 0.00 N HETATM 333 CJ6 UNL 1 1.740 6.257 -1.854 1.00 0.00 C HETATM 334 CJ7 UNL 1 0.580 7.243 -1.690 1.00 0.00 C HETATM 335 CJ8 UNL 1 -0.711 6.614 -2.070 1.00 0.00 C HETATM 336 CJ9 UNL 1 -1.770 7.666 -1.986 1.00 0.00 C HETATM 337 CK0 UNL 1 -0.630 6.035 -3.448 1.00 0.00 C HETATM 338 CK1 UNL 1 1.645 5.103 -0.996 1.00 0.00 C HETATM 339 O72 UNL 1 1.675 5.385 0.291 1.00 0.00 O HETATM 340 N60 UNL 1 1.581 3.731 -1.287 1.00 0.00 N HETATM 341 CK2 UNL 1 1.759 2.740 -0.187 1.00 0.00 C HETATM 342 CK3 UNL 1 0.470 2.609 0.552 1.00 0.00 C HETATM 343 CK4 UNL 1 0.567 1.761 1.767 1.00 0.00 C HETATM 344 CK5 UNL 1 0.295 0.314 1.732 1.00 0.00 C HETATM 345 N61 UNL 1 0.711 -0.172 3.063 1.00 0.00 N HETATM 346 CK6 UNL 1 1.046 -1.567 3.209 1.00 0.00 C HETATM 347 N62 UNL 1 1.712 -1.906 4.215 1.00 0.00 N HETATM 348 N63 UNL 1 0.597 -2.486 2.253 1.00 0.00 N HETATM 349 CK7 UNL 1 2.341 1.548 -0.822 1.00 0.00 C HETATM 350 O73 UNL 1 1.740 1.053 -1.781 1.00 0.00 O HETATM 351 N64 UNL 1 3.571 0.970 -0.347 1.00 0.00 N HETATM 352 CK8 UNL 1 4.192 -0.122 -0.874 1.00 0.00 C HETATM 353 CK9 UNL 1 4.451 -0.441 -2.317 1.00 0.00 C HETATM 354 CL0 UNL 1 5.346 -0.074 -3.317 1.00 0.00 C HETATM 355 CL1 UNL 1 5.213 0.477 -4.559 1.00 0.00 C HETATM 356 N65 UNL 1 6.376 0.560 -5.165 1.00 0.00 N HETATM 357 CL2 UNL 1 7.365 0.075 -4.410 1.00 0.00 C HETATM 358 CL3 UNL 1 8.739 -0.105 -4.587 1.00 0.00 C HETATM 359 CL4 UNL 1 9.423 -0.703 -3.605 1.00 0.00 C HETATM 360 CL5 UNL 1 8.806 -1.118 -2.482 1.00 0.00 C HETATM 361 CL6 UNL 1 7.477 -0.946 -2.255 1.00 0.00 C HETATM 362 CL7 UNL 1 6.750 -0.347 -3.242 1.00 0.00 C HETATM 363 CL8 UNL 1 3.485 -1.457 -0.562 1.00 0.00 C HETATM 364 O74 UNL 1 2.389 -1.559 -0.122 1.00 0.00 O HETATM 365 N66 UNL 1 4.343 -2.524 -0.941 1.00 0.00 N HETATM 366 CL9 UNL 1 4.161 -3.834 -1.226 1.00 0.00 C HETATM 367 CM0 UNL 1 3.769 -4.984 -0.582 1.00 0.00 C HETATM 368 CM1 UNL 1 2.392 -5.193 0.052 1.00 0.00 C HETATM 369 CM2 UNL 1 1.150 -4.891 -0.456 1.00 0.00 C HETATM 370 N67 UNL 1 0.260 -5.637 0.189 1.00 0.00 N HETATM 371 CM3 UNL 1 0.917 -6.364 1.104 1.00 0.00 C HETATM 372 CM4 UNL 1 0.535 -7.353 2.002 1.00 0.00 C HETATM 373 CM5 UNL 1 1.322 -7.983 2.888 1.00 0.00 C HETATM 374 CM6 UNL 1 2.700 -7.650 2.864 1.00 0.00 C HETATM 375 CM7 UNL 1 3.061 -6.731 1.891 1.00 0.00 C HETATM 376 CM8 UNL 1 2.213 -6.117 1.064 1.00 0.00 C HETATM 377 CM9 UNL 1 5.188 -4.180 -2.353 1.00 0.00 C HETATM 378 O75 UNL 1 6.359 -3.905 -2.098 1.00 0.00 O HETATM 379 N68 UNL 1 4.786 -4.746 -3.526 1.00 0.00 N HETATM 380 CN0 UNL 1 5.309 -5.207 -4.706 1.00 0.00 C HETATM 381 CN1 UNL 1 4.622 -6.295 -5.453 1.00 0.00 C HETATM 382 CN2 UNL 1 5.065 -6.483 -6.856 1.00 0.00 C HETATM 383 CN3 UNL 1 4.382 -7.631 -7.489 1.00 0.00 C HETATM 384 O76 UNL 1 4.865 -8.798 -7.433 1.00 0.00 O HETATM 385 O77 UNL 1 3.116 -7.564 -8.081 1.00 0.00 O HETATM 386 CN4 UNL 1 6.139 -4.381 -5.660 1.00 0.00 C HETATM 387 O78 UNL 1 7.299 -4.814 -5.907 1.00 0.00 O HETATM 388 N69 UNL 1 5.597 -3.289 -6.191 1.00 0.00 N HETATM 389 CN5 UNL 1 5.689 -2.208 -7.165 1.00 0.00 C HETATM 390 CN6 UNL 1 6.258 -3.171 -8.329 1.00 0.00 C HETATM 391 CN7 UNL 1 6.634 -2.697 -9.597 1.00 0.00 C HETATM 392 CN8 UNL 1 5.656 -2.206 -10.602 1.00 0.00 C HETATM 393 CN9 UNL 1 7.427 -1.326 -9.234 1.00 0.00 C HETATM 394 CO0 UNL 1 4.177 -2.113 -7.389 1.00 0.00 C HETATM 395 O79 UNL 1 3.726 -2.122 -8.515 1.00 0.00 O HETATM 396 N70 UNL 1 3.408 -2.105 -6.154 1.00 0.00 N HETATM 397 CO1 UNL 1 2.057 -2.445 -6.011 1.00 0.00 C HETATM 398 CO2 UNL 1 1.307 -2.487 -4.790 1.00 0.00 C HETATM 399 CO3 UNL 1 0.805 -1.318 -4.022 1.00 0.00 C HETATM 400 CO4 UNL 1 0.036 -1.919 -2.861 1.00 0.00 C HETATM 401 N71 UNL 1 -0.963 -0.995 -2.361 1.00 0.00 N HETATM 402 CO5 UNL 1 -2.059 -1.662 -1.685 1.00 0.00 C HETATM 403 N72 UNL 1 -2.112 -2.931 -1.451 1.00 0.00 N HETATM 404 N73 UNL 1 -3.131 -0.887 -1.166 1.00 0.00 N HETATM 405 CO6 UNL 1 1.767 -3.529 -6.999 1.00 0.00 C HETATM 406 O80 UNL 1 1.922 -3.343 -8.199 1.00 0.00 O HETATM 407 O81 UNL 1 1.354 -4.738 -6.488 1.00 0.00 O HETATM 408 CO7 UNL 1 10.781 5.084 -1.417 1.00 0.00 C HETATM 409 CO8 UNL 1 12.124 4.963 -1.934 1.00 0.00 C HETATM 410 O82 UNL 1 10.174 3.792 -1.271 1.00 0.00 O HETATM 411 CO9 UNL 1 -9.026 1.092 3.450 1.00 0.00 C HETATM 412 CP0 UNL 1 -9.888 2.325 3.863 1.00 0.00 C HETATM 413 CP1 UNL 1 -7.907 1.718 2.583 1.00 0.00 C HETATM 414 CP2 UNL 1 -8.364 2.038 1.198 1.00 0.00 C HETATM 415 CP3 UNL 1 -6.286 4.113 6.683 1.00 0.00 C HETATM 416 CP4 UNL 1 -7.273 4.987 5.929 1.00 0.00 C HETATM 417 CP5 UNL 1 -5.060 3.912 5.886 1.00 0.00 C HETATM 418 CP6 UNL 1 -2.675 -6.478 2.259 1.00 0.00 C HETATM 419 CP7 UNL 1 -3.129 -6.865 0.800 1.00 0.00 C HETATM 420 O83 UNL 1 -2.693 -7.646 2.988 1.00 0.00 O HETATM 421 H1 UNL 1 -2.351 4.156 -11.654 1.00 0.00 H HETATM 422 H2 UNL 1 -3.830 5.177 -11.728 1.00 0.00 H HETATM 423 H3 UNL 1 -3.019 4.770 -10.148 1.00 0.00 H HETATM 424 H4 UNL 1 -3.759 2.415 -11.877 1.00 0.00 H HETATM 425 H5 UNL 1 -3.852 2.548 -10.137 1.00 0.00 H HETATM 426 H6 UNL 1 -5.808 3.194 -12.296 1.00 0.00 H HETATM 427 H7 UNL 1 -5.210 5.046 -10.041 1.00 0.00 H HETATM 428 H8 UNL 1 -6.959 4.491 -9.942 1.00 0.00 H HETATM 429 H9 UNL 1 -6.305 5.333 -11.353 1.00 0.00 H HETATM 430 H10 UNL 1 -5.561 1.219 -10.606 1.00 0.00 H HETATM 431 H11 UNL 1 -7.889 0.875 -10.472 1.00 0.00 H HETATM 432 H12 UNL 1 -10.615 3.107 -11.420 1.00 0.00 H HETATM 433 H13 UNL 1 -11.125 1.922 -13.020 1.00 0.00 H HETATM 434 H14 UNL 1 -11.118 0.384 -12.075 1.00 0.00 H HETATM 435 H15 UNL 1 -8.879 2.570 -14.273 1.00 0.00 H HETATM 436 H16 UNL 1 -6.812 -1.094 -13.922 1.00 0.00 H HETATM 437 H17 UNL 1 -8.899 -1.262 -12.390 1.00 0.00 H HETATM 438 H18 UNL 1 -9.849 1.899 -9.011 1.00 0.00 H HETATM 439 H19 UNL 1 -13.185 1.515 -7.938 1.00 0.00 H HETATM 440 H20 UNL 1 -13.537 3.911 -7.348 1.00 0.00 H HETATM 441 H21 UNL 1 -14.240 3.136 -8.779 1.00 0.00 H HETATM 442 H22 UNL 1 -11.463 4.457 -9.159 1.00 0.00 H HETATM 443 H23 UNL 1 -12.761 4.143 -10.280 1.00 0.00 H HETATM 444 H24 UNL 1 -11.353 7.006 -7.560 1.00 0.00 H HETATM 445 H25 UNL 1 -10.763 6.957 -9.231 1.00 0.00 H HETATM 446 H26 UNL 1 -11.878 8.309 -8.698 1.00 0.00 H HETATM 447 H27 UNL 1 -10.568 2.213 -7.165 1.00 0.00 H HETATM 448 H28 UNL 1 -12.181 2.844 -4.378 1.00 0.00 H HETATM 449 H29 UNL 1 -10.113 1.066 -4.197 1.00 0.00 H HETATM 450 H30 UNL 1 -10.437 1.103 -5.929 1.00 0.00 H HETATM 451 H31 UNL 1 -12.299 -0.544 -4.321 1.00 0.00 H HETATM 452 H32 UNL 1 -10.029 3.012 -3.033 1.00 0.00 H HETATM 453 H33 UNL 1 -11.437 5.961 -1.624 1.00 0.00 H HETATM 454 H34 UNL 1 -8.603 5.139 -1.846 1.00 0.00 H HETATM 455 H35 UNL 1 -7.051 5.835 -0.795 1.00 0.00 H HETATM 456 H36 UNL 1 -7.533 7.505 -0.642 1.00 0.00 H HETATM 457 H37 UNL 1 -7.571 6.870 2.008 1.00 0.00 H HETATM 458 H38 UNL 1 -4.936 7.758 2.684 1.00 0.00 H HETATM 459 H39 UNL 1 -5.469 6.188 3.294 1.00 0.00 H HETATM 460 H40 UNL 1 -3.200 6.065 1.276 1.00 0.00 H HETATM 461 H41 UNL 1 -0.863 5.728 2.135 1.00 0.00 H HETATM 462 H42 UNL 1 0.275 7.231 3.208 1.00 0.00 H HETATM 463 H43 UNL 1 -0.602 6.901 4.767 1.00 0.00 H HETATM 464 H44 UNL 1 -1.153 9.817 2.120 1.00 0.00 H HETATM 465 H45 UNL 1 -2.542 8.792 1.631 1.00 0.00 H HETATM 466 H46 UNL 1 -1.580 4.071 4.429 1.00 0.00 H HETATM 467 H47 UNL 1 -0.358 3.423 6.105 1.00 0.00 H HETATM 468 H48 UNL 1 1.535 4.017 7.794 1.00 0.00 H HETATM 469 H49 UNL 1 2.075 5.124 6.539 1.00 0.00 H HETATM 470 H50 UNL 1 0.482 5.777 8.759 1.00 0.00 H HETATM 471 H51 UNL 1 -1.260 4.404 8.008 1.00 0.00 H HETATM 472 H52 UNL 1 -1.703 6.147 8.211 1.00 0.00 H HETATM 473 H53 UNL 1 -1.635 5.478 6.582 1.00 0.00 H HETATM 474 H54 UNL 1 1.151 7.676 8.101 1.00 0.00 H HETATM 475 H55 UNL 1 1.461 7.287 6.420 1.00 0.00 H HETATM 476 H56 UNL 1 -0.190 7.789 6.973 1.00 0.00 H HETATM 477 H57 UNL 1 1.619 2.303 6.742 1.00 0.00 H HETATM 478 H58 UNL 1 3.427 0.999 6.147 1.00 0.00 H HETATM 479 H59 UNL 1 4.817 2.934 4.459 1.00 0.00 H HETATM 480 H60 UNL 1 5.616 1.695 5.424 1.00 0.00 H HETATM 481 H61 UNL 1 4.955 4.683 6.815 1.00 0.00 H HETATM 482 H62 UNL 1 4.203 0.854 3.170 1.00 0.00 H HETATM 483 H63 UNL 1 5.317 -0.718 2.699 1.00 0.00 H HETATM 484 H64 UNL 1 7.078 -1.220 5.079 1.00 0.00 H HETATM 485 H65 UNL 1 6.863 0.251 4.102 1.00 0.00 H HETATM 486 H66 UNL 1 8.810 -2.865 4.378 1.00 0.00 H HETATM 487 H67 UNL 1 10.411 -3.647 2.783 1.00 0.00 H HETATM 488 H68 UNL 1 11.193 -2.250 -0.363 1.00 0.00 H HETATM 489 H69 UNL 1 9.263 -0.509 0.133 1.00 0.00 H HETATM 490 H70 UNL 1 7.487 0.164 1.685 1.00 0.00 H HETATM 491 H71 UNL 1 4.618 -2.976 2.611 1.00 0.00 H HETATM 492 H72 UNL 1 5.321 -4.429 1.863 1.00 0.00 H HETATM 493 H73 UNL 1 7.074 -4.136 1.737 1.00 0.00 H HETATM 494 H74 UNL 1 6.841 -6.663 3.123 1.00 0.00 H HETATM 495 H75 UNL 1 5.773 -8.318 1.439 1.00 0.00 H HETATM 496 H76 UNL 1 7.354 -9.860 0.558 1.00 0.00 H HETATM 497 H77 UNL 1 8.242 -8.877 1.738 1.00 0.00 H HETATM 498 H78 UNL 1 9.436 -9.272 -2.114 1.00 0.00 H HETATM 499 H79 UNL 1 6.559 -7.603 -1.372 1.00 0.00 H HETATM 500 H80 UNL 1 4.457 -7.884 -2.803 1.00 0.00 H HETATM 501 H81 UNL 1 5.895 -9.568 -2.760 1.00 0.00 H HETATM 502 H82 UNL 1 5.036 -10.602 -1.649 1.00 0.00 H HETATM 503 H83 UNL 1 3.145 -11.880 -2.270 1.00 0.00 H HETATM 504 H84 UNL 1 3.003 -13.914 -3.756 1.00 0.00 H HETATM 505 H85 UNL 1 3.522 -14.608 -6.818 1.00 0.00 H HETATM 506 H86 UNL 1 5.367 -12.053 -6.670 1.00 0.00 H HETATM 507 H87 UNL 1 5.576 -10.078 -5.213 1.00 0.00 H HETATM 508 H88 UNL 1 2.098 -8.999 -1.442 1.00 0.00 H HETATM 509 H89 UNL 1 0.027 -9.280 -3.897 1.00 0.00 H HETATM 510 H90 UNL 1 0.460 -7.204 -1.887 1.00 0.00 H HETATM 511 H91 UNL 1 -1.185 -7.899 -2.463 1.00 0.00 H HETATM 512 H92 UNL 1 -0.396 -9.913 -2.104 1.00 0.00 H HETATM 513 H93 UNL 1 0.127 -7.481 -5.558 1.00 0.00 H HETATM 514 H94 UNL 1 -2.474 -5.130 -4.646 1.00 0.00 H HETATM 515 H95 UNL 1 -3.172 -6.338 -6.295 1.00 0.00 H HETATM 516 H96 UNL 1 -1.511 -6.972 -6.837 1.00 0.00 H HETATM 517 H97 UNL 1 -2.739 -7.519 -4.287 1.00 0.00 H HETATM 518 H98 UNL 1 -1.102 -4.441 -7.147 1.00 0.00 H HETATM 519 H99 UNL 1 -1.121 -2.449 -7.900 1.00 0.00 H HETATM 520 HA0 UNL 1 -3.530 -3.351 -7.604 1.00 0.00 H HETATM 521 HA1 UNL 1 -3.482 -1.762 -8.568 1.00 0.00 H HETATM 522 HA2 UNL 1 -4.882 -1.094 -6.915 1.00 0.00 H HETATM 523 HA3 UNL 1 -4.311 -2.201 -5.674 1.00 0.00 H HETATM 524 HA4 UNL 1 -2.781 -0.447 -4.968 1.00 0.00 H HETATM 525 HA5 UNL 1 -3.478 0.484 -6.296 1.00 0.00 H HETATM 526 HA6 UNL 1 -1.224 1.200 -5.441 1.00 0.00 H HETATM 527 HA7 UNL 1 -1.910 2.519 -7.801 1.00 0.00 H HETATM 528 HA8 UNL 1 -0.396 3.346 -7.317 1.00 0.00 H HETATM 529 HA9 UNL 1 -2.137 2.649 -4.424 1.00 0.00 H HETATM 530 HB0 UNL 1 1.279 0.957 -5.461 1.00 0.00 H HETATM 531 HB1 UNL 1 2.054 2.050 -4.219 1.00 0.00 H HETATM 532 HB2 UNL 1 1.527 3.709 -4.235 1.00 0.00 H HETATM 533 HB3 UNL 1 4.427 2.679 -4.496 1.00 0.00 H HETATM 534 HB4 UNL 1 5.112 2.512 -2.182 1.00 0.00 H HETATM 535 HB5 UNL 1 7.342 2.681 -3.155 1.00 0.00 H HETATM 536 HB6 UNL 1 6.226 3.236 -4.518 1.00 0.00 H HETATM 537 HB7 UNL 1 6.670 5.430 -4.265 1.00 0.00 H HETATM 538 HB8 UNL 1 8.186 4.685 -3.704 1.00 0.00 H HETATM 539 HB9 UNL 1 7.844 5.037 -1.586 1.00 0.00 H HETATM 540 HC0 UNL 1 6.463 6.207 -2.002 1.00 0.00 H HETATM 541 HC1 UNL 1 5.571 6.420 0.585 1.00 0.00 H HETATM 542 HC2 UNL 1 4.542 4.247 2.348 1.00 0.00 H HETATM 543 HC3 UNL 1 3.422 4.977 1.179 1.00 0.00 H HETATM 544 HC4 UNL 1 4.842 5.390 4.417 1.00 0.00 H HETATM 545 HC5 UNL 1 4.805 7.347 5.751 1.00 0.00 H HETATM 546 HC6 UNL 1 4.408 10.533 5.167 1.00 0.00 H HETATM 547 HC7 UNL 1 2.815 9.489 2.613 1.00 0.00 H HETATM 548 HC8 UNL 1 2.826 7.513 1.253 1.00 0.00 H HETATM 549 HC9 UNL 1 6.768 4.351 2.313 1.00 0.00 H HETATM 550 HD0 UNL 1 8.515 5.294 3.237 1.00 0.00 H HETATM 551 HD1 UNL 1 6.998 6.667 5.586 1.00 0.00 H HETATM 552 HD2 UNL 1 8.544 5.767 5.679 1.00 0.00 H HETATM 553 HD3 UNL 1 7.159 4.186 5.834 1.00 0.00 H HETATM 554 HD4 UNL 1 9.232 7.316 5.068 1.00 0.00 H HETATM 555 HD5 UNL 1 11.018 5.998 4.739 1.00 0.00 H HETATM 556 HD6 UNL 1 10.734 8.585 6.015 1.00 0.00 H HETATM 557 HD7 UNL 1 11.684 7.392 6.709 1.00 0.00 H HETATM 558 HD8 UNL 1 13.096 8.263 4.407 1.00 0.00 H HETATM 559 HD9 UNL 1 12.775 7.117 3.103 1.00 0.00 H HETATM 560 HE0 UNL 1 14.952 4.714 4.303 1.00 0.00 H HETATM 561 HE1 UNL 1 14.885 6.069 3.115 1.00 0.00 H HETATM 562 HE2 UNL 1 -12.505 4.077 -1.856 1.00 0.00 H HETATM 563 HE3 UNL 1 -11.390 2.036 -0.289 1.00 0.00 H HETATM 564 HE4 UNL 1 -11.735 1.987 -2.024 1.00 0.00 H HETATM 565 HE5 UNL 1 -10.016 2.406 -1.385 1.00 0.00 H HETATM 566 HE6 UNL 1 -11.438 4.060 0.998 1.00 0.00 H HETATM 567 HE7 UNL 1 -13.090 3.848 0.341 1.00 0.00 H HETATM 568 HE8 UNL 1 -12.316 5.452 0.124 1.00 0.00 H HETATM 569 HE9 UNL 1 -6.785 0.481 -8.706 1.00 0.00 H HETATM 570 HF0 UNL 1 -8.597 1.922 -7.261 1.00 0.00 H HETATM 571 HF1 UNL 1 -7.558 2.300 -5.025 1.00 0.00 H HETATM 572 HF2 UNL 1 -5.995 2.439 -5.881 1.00 0.00 H HETATM 573 HF3 UNL 1 -8.522 4.078 -5.976 1.00 0.00 H HETATM 574 HF4 UNL 1 -7.815 3.949 -7.532 1.00 0.00 H HETATM 575 HF5 UNL 1 -4.887 4.902 -4.834 1.00 0.00 H HETATM 576 HF6 UNL 1 -9.411 -0.241 -8.021 1.00 0.00 H HETATM 577 HF7 UNL 1 -7.998 -2.246 -6.141 1.00 0.00 H HETATM 578 HF8 UNL 1 -10.758 -2.037 -5.948 1.00 0.00 H HETATM 579 HF9 UNL 1 -9.844 -3.457 -5.563 1.00 0.00 H HETATM 580 HG0 UNL 1 -11.745 -3.003 -7.552 1.00 0.00 H HETATM 581 HG1 UNL 1 -8.808 -4.534 -6.553 1.00 0.00 H HETATM 582 HG2 UNL 1 -6.508 -4.230 -8.059 1.00 0.00 H HETATM 583 HG3 UNL 1 -8.072 -6.268 -9.743 1.00 0.00 H HETATM 584 HG4 UNL 1 -6.911 -7.065 -8.769 1.00 0.00 H HETATM 585 HG5 UNL 1 -6.498 -6.179 -11.162 1.00 0.00 H HETATM 586 HG6 UNL 1 -6.266 -3.764 -10.213 1.00 0.00 H HETATM 587 HG7 UNL 1 -5.093 -4.417 -11.387 1.00 0.00 H HETATM 588 HG8 UNL 1 -4.631 -4.322 -9.697 1.00 0.00 H HETATM 589 HG9 UNL 1 -3.930 -6.538 -9.748 1.00 0.00 H HETATM 590 HH0 UNL 1 -5.177 -7.750 -9.346 1.00 0.00 H HETATM 591 HH1 UNL 1 -4.723 -7.436 -11.033 1.00 0.00 H HETATM 592 HH2 UNL 1 -7.505 -7.748 -7.188 1.00 0.00 H HETATM 593 HH3 UNL 1 -5.378 -7.286 -5.179 1.00 0.00 H HETATM 594 HH4 UNL 1 -6.877 -9.701 -6.338 1.00 0.00 H HETATM 595 HH5 UNL 1 -5.281 -8.977 -6.623 1.00 0.00 H HETATM 596 HH6 UNL 1 -3.692 -10.174 -3.684 1.00 0.00 H HETATM 597 HH7 UNL 1 -7.026 -9.751 -3.613 1.00 0.00 H HETATM 598 HH8 UNL 1 -6.435 -9.732 -1.325 1.00 0.00 H HETATM 599 HH9 UNL 1 -8.501 -9.584 -0.152 1.00 0.00 H HETATM 600 HI0 UNL 1 -9.133 -8.347 -1.309 1.00 0.00 H HETATM 601 HI1 UNL 1 -8.253 -10.962 -2.135 1.00 0.00 H HETATM 602 HI2 UNL 1 -7.102 -8.703 0.842 1.00 0.00 H HETATM 603 HI3 UNL 1 -5.937 -5.885 0.416 1.00 0.00 H HETATM 604 HI4 UNL 1 -7.920 -5.601 -0.413 1.00 0.00 H HETATM 605 HI5 UNL 1 -7.680 -4.669 1.110 1.00 0.00 H HETATM 606 HI6 UNL 1 -10.380 -4.677 0.535 1.00 0.00 H HETATM 607 HI7 UNL 1 -12.525 -5.682 1.281 1.00 0.00 H HETATM 608 HI8 UNL 1 -13.010 -7.848 3.377 1.00 0.00 H HETATM 609 HI9 UNL 1 -10.378 -9.058 2.688 1.00 0.00 H HETATM 610 HJ0 UNL 1 -8.319 -8.080 2.101 1.00 0.00 H HETATM 611 HJ1 UNL 1 -4.794 -7.140 1.989 1.00 0.00 H HETATM 612 HJ2 UNL 1 -3.496 -4.450 2.390 1.00 0.00 H HETATM 613 HJ3 UNL 1 -2.321 -3.692 3.417 1.00 0.00 H HETATM 614 HJ4 UNL 1 -2.756 -3.779 6.333 1.00 0.00 H HETATM 615 HJ5 UNL 1 -1.350 -5.464 6.322 1.00 0.00 H HETATM 616 HJ6 UNL 1 -0.335 -3.942 6.682 1.00 0.00 H HETATM 617 HJ7 UNL 1 1.467 -5.411 4.973 1.00 0.00 H HETATM 618 HJ8 UNL 1 -1.575 -1.838 7.641 1.00 0.00 H HETATM 619 HJ9 UNL 1 -0.995 0.413 5.709 1.00 0.00 H HETATM 620 HK0 UNL 1 1.328 0.079 6.385 1.00 0.00 H HETATM 621 HK1 UNL 1 0.688 -1.413 6.887 1.00 0.00 H HETATM 622 HK2 UNL 1 2.347 1.372 8.718 1.00 0.00 H HETATM 623 HK3 UNL 1 2.884 -0.204 9.317 1.00 0.00 H HETATM 624 HK4 UNL 1 -3.352 0.739 6.853 1.00 0.00 H HETATM 625 HK5 UNL 1 -4.467 0.254 9.094 1.00 0.00 H HETATM 626 HK6 UNL 1 -3.926 1.378 10.969 1.00 0.00 H HETATM 627 HK7 UNL 1 -2.444 0.777 10.278 1.00 0.00 H HETATM 628 HK8 UNL 1 -1.260 3.335 10.568 1.00 0.00 H HETATM 629 HK9 UNL 1 -6.418 1.062 8.070 1.00 0.00 H HETATM 630 HL0 UNL 1 -7.478 3.447 8.237 1.00 0.00 H HETATM 631 HL1 UNL 1 -6.830 2.079 4.686 1.00 0.00 H HETATM 632 HL2 UNL 1 -7.678 -0.245 4.395 1.00 0.00 H HETATM 633 HL3 UNL 1 -7.940 -1.599 5.834 1.00 0.00 H HETATM 634 HL4 UNL 1 -8.576 -0.927 8.511 1.00 0.00 H HETATM 635 HL5 UNL 1 -9.933 -1.933 7.940 1.00 0.00 H HETATM 636 HL6 UNL 1 -6.688 -1.452 8.706 1.00 0.00 H HETATM 637 HL7 UNL 1 -4.619 -2.059 7.815 1.00 0.00 H HETATM 638 HL8 UNL 1 -6.604 -3.807 6.378 1.00 0.00 H HETATM 639 HL9 UNL 1 -4.923 -4.278 6.299 1.00 0.00 H HETATM 640 HM0 UNL 1 -5.632 -3.844 3.985 1.00 0.00 H HETATM 641 HM1 UNL 1 -4.862 -2.379 2.096 1.00 0.00 H HETATM 642 HM2 UNL 1 -3.979 1.063 2.505 1.00 0.00 H HETATM 643 HM3 UNL 1 -4.545 0.767 4.819 1.00 0.00 H HETATM 644 HM4 UNL 1 -5.265 -0.587 6.751 1.00 0.00 H HETATM 645 HM5 UNL 1 -3.184 -2.547 9.117 1.00 0.00 H HETATM 646 HM6 UNL 1 -2.296 -3.937 11.074 1.00 0.00 H HETATM 647 HM7 UNL 1 -3.120 -6.284 9.523 1.00 0.00 H HETATM 648 HM8 UNL 1 -2.465 -6.066 11.164 1.00 0.00 H HETATM 649 HM9 UNL 1 -4.873 -6.124 11.157 1.00 0.00 H HETATM 650 HN0 UNL 1 -0.406 -2.833 9.972 1.00 0.00 H HETATM 651 HN1 UNL 1 1.489 -5.000 9.503 1.00 0.00 H HETATM 652 HN2 UNL 1 1.450 -4.139 7.985 1.00 0.00 H HETATM 653 HN3 UNL 1 3.123 -3.286 7.766 1.00 0.00 H HETATM 654 HN4 UNL 1 5.073 -3.768 9.950 1.00 0.00 H HETATM 655 HN5 UNL 1 5.132 -3.642 6.861 1.00 0.00 H HETATM 656 HN6 UNL 1 4.623 -4.925 7.948 1.00 0.00 H HETATM 657 HN7 UNL 1 7.525 -5.894 6.585 1.00 0.00 H HETATM 658 HN8 UNL 1 6.406 -1.946 7.282 1.00 0.00 H HETATM 659 HN9 UNL 1 8.760 -1.261 8.282 1.00 0.00 H HETATM 660 HO0 UNL 1 8.597 0.860 9.414 1.00 0.00 H HETATM 661 HO1 UNL 1 6.897 0.484 9.786 1.00 0.00 H HETATM 662 HO2 UNL 1 9.598 -0.820 10.475 1.00 0.00 H HETATM 663 HO3 UNL 1 8.330 -1.948 10.486 1.00 0.00 H HETATM 664 HO4 UNL 1 9.236 0.164 12.338 1.00 0.00 H HETATM 665 HO5 UNL 1 7.495 0.372 12.166 1.00 0.00 H HETATM 666 HO6 UNL 1 8.981 -2.047 13.139 1.00 0.00 H HETATM 667 HO7 UNL 1 5.349 -3.117 13.705 1.00 0.00 H HETATM 668 HO8 UNL 1 6.239 -0.405 14.923 1.00 0.00 H HETATM 669 HO9 UNL 1 5.290 -0.363 13.398 1.00 0.00 H HETATM 670 HP0 UNL 1 9.589 -0.465 6.264 1.00 0.00 H HETATM 671 HP1 UNL 1 8.832 2.483 6.149 1.00 0.00 H HETATM 672 HP2 UNL 1 10.789 1.236 7.639 1.00 0.00 H HETATM 673 HP3 UNL 1 11.610 1.454 6.092 1.00 0.00 H HETATM 674 HP4 UNL 1 9.829 3.929 7.913 1.00 0.00 H HETATM 675 HP5 UNL 1 10.077 3.742 4.336 1.00 0.00 H HETATM 676 HP6 UNL 1 9.613 2.516 1.797 1.00 0.00 H HETATM 677 HP7 UNL 1 11.036 0.828 1.916 1.00 0.00 H HETATM 678 HP8 UNL 1 11.881 2.123 1.104 1.00 0.00 H HETATM 679 HP9 UNL 1 12.425 2.321 4.014 1.00 0.00 H HETATM 680 HQ0 UNL 1 13.396 2.649 2.589 1.00 0.00 H HETATM 681 HQ1 UNL 1 12.449 -1.162 3.224 1.00 0.00 H HETATM 682 HQ2 UNL 1 13.441 -0.979 1.757 1.00 0.00 H HETATM 683 HQ3 UNL 1 9.394 4.346 0.688 1.00 0.00 H HETATM 684 HQ4 UNL 1 11.865 6.018 0.106 1.00 0.00 H HETATM 685 HQ5 UNL 1 8.285 6.685 -0.548 1.00 0.00 H HETATM 686 HQ6 UNL 1 8.430 8.313 -2.589 1.00 0.00 H HETATM 687 HQ7 UNL 1 10.293 9.435 -1.709 1.00 0.00 H HETATM 688 HQ8 UNL 1 9.303 10.000 -0.246 1.00 0.00 H HETATM 689 HQ9 UNL 1 7.732 10.668 -2.490 1.00 0.00 H HETATM 690 HR0 UNL 1 8.769 11.870 -1.738 1.00 0.00 H HETATM 691 HR1 UNL 1 9.855 11.822 -3.925 1.00 0.00 H HETATM 692 HR2 UNL 1 10.543 10.345 -3.324 1.00 0.00 H HETATM 693 HR3 UNL 1 9.149 8.921 -4.660 1.00 0.00 H HETATM 694 HR4 UNL 1 6.802 11.214 -6.738 1.00 0.00 H HETATM 695 HR5 UNL 1 9.609 12.255 -6.550 1.00 0.00 H HETATM 696 HR6 UNL 1 9.664 10.704 -7.492 1.00 0.00 H HETATM 697 HR7 UNL 1 5.923 8.684 -2.946 1.00 0.00 H HETATM 698 HR8 UNL 1 4.647 8.738 -0.220 1.00 0.00 H HETATM 699 HR9 UNL 1 5.106 11.056 -1.296 1.00 0.00 H HETATM 700 HS0 UNL 1 3.869 10.496 -2.512 1.00 0.00 H HETATM 701 HS1 UNL 1 1.551 11.589 -1.810 1.00 0.00 H HETATM 702 HS2 UNL 1 3.171 6.854 -0.448 1.00 0.00 H HETATM 703 HS3 UNL 1 1.732 6.078 -2.946 1.00 0.00 H HETATM 704 HS4 UNL 1 0.606 7.671 -0.682 1.00 0.00 H HETATM 705 HS5 UNL 1 0.816 8.062 -2.443 1.00 0.00 H HETATM 706 HS6 UNL 1 -0.991 5.802 -1.345 1.00 0.00 H HETATM 707 HS7 UNL 1 -2.737 7.224 -1.762 1.00 0.00 H HETATM 708 HS8 UNL 1 -1.856 8.122 -3.031 1.00 0.00 H HETATM 709 HS9 UNL 1 -1.472 8.523 -1.348 1.00 0.00 H HETATM 710 HT0 UNL 1 0.187 6.501 -4.071 1.00 0.00 H HETATM 711 HT1 UNL 1 -0.469 4.921 -3.396 1.00 0.00 H HETATM 712 HT2 UNL 1 -1.560 6.198 -4.012 1.00 0.00 H HETATM 713 HT3 UNL 1 1.436 3.354 -2.201 1.00 0.00 H HETATM 714 HT4 UNL 1 2.462 3.161 0.588 1.00 0.00 H HETATM 715 HT5 UNL 1 -0.140 3.465 0.673 1.00 0.00 H HETATM 716 HT6 UNL 1 -0.180 1.956 -0.232 1.00 0.00 H HETATM 717 HT7 UNL 1 1.760 1.714 1.904 1.00 0.00 H HETATM 718 HT8 UNL 1 0.286 2.213 2.709 1.00 0.00 H HETATM 719 HT9 UNL 1 -0.896 0.238 1.907 1.00 0.00 H HETATM 720 HU0 UNL 1 0.406 -0.302 0.912 1.00 0.00 H HETATM 721 HU1 UNL 1 0.716 0.531 3.830 1.00 0.00 H HETATM 722 HU2 UNL 1 2.044 -2.882 4.455 1.00 0.00 H HETATM 723 HU3 UNL 1 -0.239 -2.333 1.649 1.00 0.00 H HETATM 724 HU4 UNL 1 1.170 -3.369 2.172 1.00 0.00 H HETATM 725 HU5 UNL 1 3.985 1.449 0.500 1.00 0.00 H HETATM 726 HU6 UNL 1 5.250 -0.139 -0.355 1.00 0.00 H HETATM 727 HU7 UNL 1 3.471 0.270 -2.710 1.00 0.00 H HETATM 728 HU8 UNL 1 3.875 -1.396 -2.637 1.00 0.00 H HETATM 729 HU9 UNL 1 4.283 0.763 -5.061 1.00 0.00 H HETATM 730 HV0 UNL 1 6.560 0.962 -6.113 1.00 0.00 H HETATM 731 HV1 UNL 1 9.173 0.279 -5.554 1.00 0.00 H HETATM 732 HV2 UNL 1 10.496 -0.863 -3.680 1.00 0.00 H HETATM 733 HV3 UNL 1 9.341 -1.627 -1.679 1.00 0.00 H HETATM 734 HV4 UNL 1 7.019 -1.244 -1.304 1.00 0.00 H HETATM 735 HV5 UNL 1 5.411 -2.220 -0.859 1.00 0.00 H HETATM 736 HV6 UNL 1 3.129 -3.647 -1.950 1.00 0.00 H HETATM 737 HV7 UNL 1 4.442 -5.577 0.005 1.00 0.00 H HETATM 738 HV8 UNL 1 3.683 -5.801 -1.517 1.00 0.00 H HETATM 739 HV9 UNL 1 1.008 -4.173 -1.290 1.00 0.00 H HETATM 740 HW0 UNL 1 -0.724 -5.587 -0.051 1.00 0.00 H HETATM 741 HW1 UNL 1 -0.534 -7.707 2.018 1.00 0.00 H HETATM 742 HW2 UNL 1 1.022 -8.739 3.615 1.00 0.00 H HETATM 743 HW3 UNL 1 3.452 -8.114 3.479 1.00 0.00 H HETATM 744 HW4 UNL 1 4.106 -6.424 1.873 1.00 0.00 H HETATM 745 HW5 UNL 1 3.643 -4.828 -3.570 1.00 0.00 H HETATM 746 HW6 UNL 1 6.262 -5.855 -4.215 1.00 0.00 H HETATM 747 HW7 UNL 1 3.554 -6.129 -5.390 1.00 0.00 H HETATM 748 HW8 UNL 1 4.956 -7.315 -4.984 1.00 0.00 H HETATM 749 HW9 UNL 1 4.519 -5.590 -7.402 1.00 0.00 H HETATM 750 HX0 UNL 1 6.098 -6.458 -7.087 1.00 0.00 H HETATM 751 HX1 UNL 1 2.923 -7.001 -8.894 1.00 0.00 H HETATM 752 HX2 UNL 1 4.819 -2.929 -5.404 1.00 0.00 H HETATM 753 HX3 UNL 1 6.277 -1.437 -7.093 1.00 0.00 H HETATM 754 HX4 UNL 1 5.184 -3.683 -8.521 1.00 0.00 H HETATM 755 HX5 UNL 1 6.766 -4.017 -7.915 1.00 0.00 H HETATM 756 HX6 UNL 1 7.441 -3.271 -10.103 1.00 0.00 H HETATM 757 HX7 UNL 1 6.059 -2.457 -11.673 1.00 0.00 H HETATM 758 HX8 UNL 1 5.335 -1.197 -10.559 1.00 0.00 H HETATM 759 HX9 UNL 1 4.770 -2.924 -10.610 1.00 0.00 H HETATM 760 HY0 UNL 1 8.051 -1.157 -10.054 1.00 0.00 H HETATM 761 HY1 UNL 1 6.611 -0.611 -9.097 1.00 0.00 H HETATM 762 HY2 UNL 1 7.970 -1.577 -8.309 1.00 0.00 H HETATM 763 HY3 UNL 1 3.905 -1.840 -5.254 1.00 0.00 H HETATM 764 HY4 UNL 1 1.537 -1.541 -6.626 1.00 0.00 H HETATM 765 HY5 UNL 1 0.760 -3.443 -4.562 1.00 0.00 H HETATM 766 HY6 UNL 1 2.236 -2.769 -4.005 1.00 0.00 H HETATM 767 HY7 UNL 1 1.567 -0.618 -3.801 1.00 0.00 H HETATM 768 HY8 UNL 1 -0.032 -0.804 -4.588 1.00 0.00 H HETATM 769 HY9 UNL 1 0.817 -1.961 -1.994 1.00 0.00 H HETATM 770 HZ0 UNL 1 -0.305 -2.874 -3.009 1.00 0.00 H HETATM 771 HZ1 UNL 1 -0.867 -0.008 -2.473 1.00 0.00 H HETATM 772 HZ2 UNL 1 -2.884 -3.376 -0.931 1.00 0.00 H HETATM 773 HZ3 UNL 1 -4.082 -1.324 -1.023 1.00 0.00 H HETATM 774 HZ4 UNL 1 -3.028 0.139 -0.957 1.00 0.00 H HETATM 775 HZ5 UNL 1 1.628 -5.582 -7.018 1.00 0.00 H HETATM 776 HZ6 UNL 1 10.037 5.610 -2.072 1.00 0.00 H HETATM 777 HZ7 UNL 1 12.320 3.914 -2.371 1.00 0.00 H HETATM 778 HZ8 UNL 1 12.926 5.074 -1.200 1.00 0.00 H HETATM 779 HZ9 UNL 1 12.276 5.681 -2.801 1.00 0.00 H HETATM 780 HAA UNL 1 10.954 3.146 -1.223 1.00 0.00 H HETATM 781 HAB UNL 1 -9.603 0.466 2.776 1.00 0.00 H HETATM 782 HAC UNL 1 -10.304 2.762 2.974 1.00 0.00 H HETATM 783 HAD UNL 1 -9.153 3.050 4.293 1.00 0.00 H HETATM 784 HAE UNL 1 -10.663 2.052 4.569 1.00 0.00 H HETATM 785 HAF UNL 1 -7.701 2.772 3.023 1.00 0.00 H HETATM 786 HAG UNL 1 -6.954 1.240 2.611 1.00 0.00 H HETATM 787 HAH UNL 1 -7.615 2.597 0.652 1.00 0.00 H HETATM 788 HAI UNL 1 -8.374 1.027 0.603 1.00 0.00 H HETATM 789 HAJ UNL 1 -9.337 2.483 1.136 1.00 0.00 H HETATM 790 HAK UNL 1 -5.982 4.861 7.560 1.00 0.00 H HETATM 791 HAL UNL 1 -8.316 4.709 6.145 1.00 0.00 H HETATM 792 HAM UNL 1 -7.063 6.042 5.991 1.00 0.00 H HETATM 793 HAN UNL 1 -7.136 4.711 4.824 1.00 0.00 H HETATM 794 HAO UNL 1 -4.221 4.561 6.279 1.00 0.00 H HETATM 795 HAP UNL 1 -4.677 2.866 5.892 1.00 0.00 H HETATM 796 HAQ UNL 1 -5.131 4.208 4.826 1.00 0.00 H HETATM 797 HAR UNL 1 -1.797 -5.834 2.235 1.00 0.00 H HETATM 798 HAS UNL 1 -3.530 -6.018 0.316 1.00 0.00 H HETATM 799 HAT UNL 1 -3.762 -7.756 0.917 1.00 0.00 H HETATM 800 HAU UNL 1 -2.236 -7.237 0.267 1.00 0.00 H HETATM 801 HAV UNL 1 -3.187 -8.376 2.625 1.00 0.00 H CONECT 1 2 421 422 423 CONECT 2 3 424 425 CONECT 3 4 5 426 CONECT 4 427 428 429 CONECT 5 6 166 430 CONECT 6 7 431 CONECT 7 8 8 9 CONECT 9 10 16 432 CONECT 10 11 433 434 CONECT 11 12 12 15 CONECT 12 13 435 CONECT 13 14 14 CONECT 14 15 436 CONECT 15 437 CONECT 16 17 438 CONECT 17 18 18 19 CONECT 19 20 24 439 CONECT 20 21 440 441 CONECT 21 22 442 443 CONECT 22 23 CONECT 23 444 445 446 CONECT 24 25 447 CONECT 25 26 26 27 CONECT 27 28 30 448 CONECT 28 29 449 450 CONECT 29 451 CONECT 30 31 452 CONECT 31 32 32 33 CONECT 33 34 163 453 CONECT 34 35 454 CONECT 35 36 36 37 CONECT 37 38 455 456 CONECT 38 39 457 CONECT 39 40 40 41 CONECT 41 42 458 459 CONECT 42 43 460 CONECT 43 44 44 45 CONECT 45 46 50 461 CONECT 46 47 462 463 CONECT 47 48 49 49 CONECT 48 464 465 CONECT 50 51 466 CONECT 51 52 52 53 CONECT 53 54 58 467 CONECT 54 55 468 469 CONECT 55 56 57 470 CONECT 56 471 472 473 CONECT 57 474 475 476 CONECT 58 59 477 CONECT 59 60 60 61 CONECT 61 62 64 478 CONECT 62 63 479 480 CONECT 63 481 CONECT 64 65 482 CONECT 65 66 66 67 CONECT 67 68 76 483 CONECT 68 69 484 485 CONECT 69 70 70 75 CONECT 70 71 486 CONECT 71 72 72 487 CONECT 72 73 74 CONECT 73 488 CONECT 74 75 75 489 CONECT 75 490 CONECT 76 77 491 CONECT 77 78 78 79 CONECT 79 80 492 493 CONECT 80 81 494 CONECT 81 82 82 83 CONECT 83 84 88 495 CONECT 84 85 496 497 CONECT 85 86 86 87 CONECT 87 498 CONECT 88 89 499 CONECT 89 90 90 91 CONECT 91 92 100 500 CONECT 92 93 501 502 CONECT 93 94 94 99 CONECT 94 95 503 CONECT 95 96 96 504 CONECT 96 97 98 CONECT 97 505 CONECT 98 99 99 506 CONECT 99 507 CONECT 100 101 508 CONECT 101 102 102 103 CONECT 103 104 106 509 CONECT 104 105 510 511 CONECT 105 512 CONECT 106 107 513 CONECT 107 108 108 109 CONECT 109 110 112 514 CONECT 110 111 515 516 CONECT 111 517 CONECT 112 113 518 CONECT 113 114 114 115 CONECT 115 116 119 519 CONECT 116 117 520 521 CONECT 117 118 522 523 CONECT 118 119 524 525 CONECT 119 120 CONECT 120 121 121 122 CONECT 122 123 125 526 CONECT 123 124 527 528 CONECT 124 529 CONECT 125 126 530 CONECT 126 127 127 128 CONECT 128 129 531 532 CONECT 129 130 533 CONECT 130 131 131 132 CONECT 132 133 136 534 CONECT 133 134 535 536 CONECT 134 135 537 538 CONECT 135 136 539 540 CONECT 136 137 CONECT 137 138 138 139 CONECT 139 140 148 541 CONECT 140 141 542 543 CONECT 141 142 142 147 CONECT 142 143 544 CONECT 143 144 144 545 CONECT 144 145 146 CONECT 145 546 CONECT 146 147 147 547 CONECT 147 548 CONECT 148 149 549 CONECT 149 150 150 151 CONECT 151 152 154 550 CONECT 152 153 551 552 CONECT 153 553 CONECT 154 155 554 CONECT 155 156 156 157 CONECT 157 158 159 555 CONECT 158 556 557 CONECT 159 160 558 559 CONECT 160 161 162 162 CONECT 161 560 561 CONECT 163 164 165 562 CONECT 164 563 564 565 CONECT 165 566 567 568 CONECT 166 167 167 168 CONECT 168 169 569 CONECT 169 170 175 570 CONECT 170 171 571 572 CONECT 171 172 573 574 CONECT 172 173 173 174 CONECT 174 575 CONECT 175 176 176 177 CONECT 177 178 576 CONECT 178 179 181 577 CONECT 179 180 578 579 CONECT 180 580 CONECT 181 182 182 183 CONECT 183 184 581 CONECT 184 185 189 582 CONECT 185 186 583 584 CONECT 186 187 188 585 CONECT 187 586 587 588 CONECT 188 589 590 591 CONECT 189 190 190 191 CONECT 191 192 592 CONECT 192 193 197 593 CONECT 193 194 594 595 CONECT 194 195 195 196 CONECT 196 596 CONECT 197 198 198 199 CONECT 199 200 597 CONECT 200 201 203 598 CONECT 201 202 599 600 CONECT 202 601 CONECT 203 204 204 205 CONECT 205 206 602 CONECT 206 207 215 603 CONECT 207 208 604 605 CONECT 208 209 209 214 CONECT 209 210 606 CONECT 210 211 211 607 CONECT 211 212 213 CONECT 212 608 CONECT 213 214 214 609 CONECT 214 610 CONECT 215 216 216 217 CONECT 217 218 611 CONECT 218 219 418 612 CONECT 219 220 220 221 CONECT 221 222 613 CONECT 222 223 225 614 CONECT 223 224 615 616 CONECT 224 617 CONECT 225 226 226 227 CONECT 227 228 618 CONECT 228 229 233 619 CONECT 229 230 620 621 CONECT 230 231 232 232 CONECT 231 622 623 CONECT 233 234 234 235 CONECT 235 236 624 CONECT 236 237 239 625 CONECT 237 238 626 627 CONECT 238 628 CONECT 239 240 240 241 CONECT 241 242 629 CONECT 242 243 415 630 CONECT 243 244 244 245 CONECT 245 246 631 CONECT 246 247 411 632 CONECT 247 248 248 249 CONECT 249 250 633 CONECT 250 251 634 635 CONECT 251 252 252 253 CONECT 253 254 636 CONECT 254 255 263 637 CONECT 255 256 638 639 CONECT 256 257 257 262 CONECT 257 258 640 CONECT 258 259 259 641 CONECT 259 260 261 CONECT 260 642 CONECT 261 262 262 643 CONECT 262 644 CONECT 263 264 264 265 CONECT 265 266 645 CONECT 266 267 269 646 CONECT 267 268 647 648 CONECT 268 649 CONECT 269 270 270 271 CONECT 271 272 650 CONECT 272 273 651 652 CONECT 273 274 274 275 CONECT 275 276 653 CONECT 276 277 281 654 CONECT 277 278 655 656 CONECT 278 279 279 280 CONECT 280 657 CONECT 281 282 282 283 CONECT 283 284 658 CONECT 284 285 292 659 CONECT 285 286 660 661 CONECT 286 287 662 663 CONECT 287 288 664 665 CONECT 288 289 666 CONECT 289 290 290 291 CONECT 290 667 CONECT 291 668 669 CONECT 292 293 293 294 CONECT 294 295 670 CONECT 295 296 298 671 CONECT 296 297 672 673 CONECT 297 674 CONECT 298 299 299 300 CONECT 300 301 675 CONECT 301 302 307 676 CONECT 302 303 677 678 CONECT 303 304 679 680 CONECT 304 305 306 306 CONECT 305 681 682 CONECT 307 308 308 309 CONECT 309 310 683 CONECT 310 311 408 684 CONECT 311 312 312 313 CONECT 313 314 685 CONECT 314 315 322 686 CONECT 315 316 687 688 CONECT 316 317 689 690 CONECT 317 318 691 692 CONECT 318 319 693 CONECT 319 320 320 321 CONECT 320 694 CONECT 321 695 696 CONECT 322 323 323 324 CONECT 324 325 697 CONECT 325 326 330 698 CONECT 326 327 699 700 CONECT 327 328 328 329 CONECT 329 701 CONECT 330 331 331 332 CONECT 332 333 702 CONECT 333 334 338 703 CONECT 334 335 704 705 CONECT 335 336 337 706 CONECT 336 707 708 709 CONECT 337 710 711 712 CONECT 338 339 339 340 CONECT 340 341 713 CONECT 341 342 349 714 CONECT 342 343 715 716 CONECT 343 344 717 718 CONECT 344 345 719 720 CONECT 345 346 721 CONECT 346 347 347 348 CONECT 347 722 CONECT 348 723 724 CONECT 349 350 350 351 CONECT 351 352 725 CONECT 352 353 363 726 CONECT 353 354 727 728 CONECT 354 355 355 362 CONECT 355 356 729 CONECT 356 357 730 CONECT 357 358 358 362 CONECT 358 359 731 CONECT 359 360 360 732 CONECT 360 361 733 CONECT 361 362 362 734 CONECT 363 364 364 365 CONECT 365 366 735 CONECT 366 367 377 736 CONECT 367 368 737 738 CONECT 368 369 369 376 CONECT 369 370 739 CONECT 370 371 740 CONECT 371 372 372 376 CONECT 372 373 741 CONECT 373 374 374 742 CONECT 374 375 743 CONECT 375 376 376 744 CONECT 377 378 378 379 CONECT 379 380 745 CONECT 380 381 386 746 CONECT 381 382 747 748 CONECT 382 383 749 750 CONECT 383 384 384 385 CONECT 385 751 CONECT 386 387 387 388 CONECT 388 389 752 CONECT 389 390 394 753 CONECT 390 391 754 755 CONECT 391 392 393 756 CONECT 392 757 758 759 CONECT 393 760 761 762 CONECT 394 395 395 396 CONECT 396 397 763 CONECT 397 398 405 764 CONECT 398 399 765 766 CONECT 399 400 767 768 CONECT 400 401 769 770 CONECT 401 402 771 CONECT 402 403 403 404 CONECT 403 772 CONECT 404 773 774 CONECT 405 406 406 407 CONECT 407 775 CONECT 408 409 410 776 CONECT 409 777 778 779 CONECT 410 780 CONECT 411 412 413 781 CONECT 412 782 783 784 CONECT 413 414 785 786 CONECT 414 787 788 789 CONECT 415 416 417 790 CONECT 416 791 792 793 CONECT 417 794 795 796 CONECT 418 419 420 797 CONECT 419 798 799 800 CONECT 420 801 END SMILES for HMDB0251846 (Epidermal growth factor)CCC(C)C(NC(=O)C(NC(=O)C(CS)NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(CC1=CN=CN1)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(N)CC(N)=O)C(C)C)C(C)CC)C(C)O)C(C)C)C(=O)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O INCHI for HMDB0251846 (Epidermal growth factor)InChI=1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275) 3D Structure for HMDB0251846 (Epidermal growth factor) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C257H381N73O83S7 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 6045.72 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 6041.588151238 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)C(NC(=O)C(NC(=O)C(CS)NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(CC1=CN=CN1)NC(=O)C(CCSC)NC(=O)C(CS)NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(N)CC(N)=O)C(C)C)C(C)CC)C(C)O)C(C)C)C(=O)NCC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CS)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C257H381N73O83S7/c1-20-123(15)203(245(404)283-103-192(351)285-157(80-127-42-52-135(339)53-43-127)222(381)313-171(104-331)210(369)281-101-191(350)287-167(92-198(360)361)228(387)290-146(37-27-70-273-255(265)266)213(372)318-177(110-414)238(397)292-148(62-65-185(259)344)217(376)327-205(125(17)337)249(408)294-147(38-28-71-274-256(267)268)212(371)309-168(93-199(362)363)229(388)298-153(76-117(3)4)218(377)289-145(36-26-69-272-254(263)264)211(370)303-162(86-133-96-277-144-35-25-23-33-141(133)144)226(385)304-161(85-132-95-276-143-34-24-22-32-140(132)143)225(384)291-149(63-66-195(354)355)214(373)297-154(77-118(5)6)219(378)296-152(253(412)413)39-29-72-275-257(269)270)326-247(406)202(122(13)14)324-242(401)181(114-418)320-227(386)165(90-188(262)347)307-241(400)180(113-417)322-250(409)206(126(18)338)328-231(390)160(83-130-48-58-138(342)59-49-130)302-234(393)174(107-334)315-230(389)169(94-200(364)365)310-221(380)155(78-119(7)8)299-233(392)173(106-333)314-215(374)150(64-67-196(356)357)295-248(407)204(124(16)21-2)325-232(391)163(87-134-97-271-116-284-134)305-216(375)151(68-75-420-19)293-239(398)179(112-416)321-246(405)201(121(11)12)323-194(353)99-278-189(348)98-279-208(367)164(89-187(261)346)306-220(379)156(79-120(9)10)300-240(399)178(111-415)319-223(382)158(81-128-44-54-136(340)55-45-128)286-190(349)100-280-209(368)166(91-197(358)359)308-224(383)159(82-129-46-56-137(341)57-47-129)301-235(394)175(108-335)316-237(396)176(109-336)317-244(403)184-41-31-74-330(184)252(411)182(115-419)288-193(352)102-282-243(402)183-40-30-73-329(183)251(410)170(84-131-50-60-139(343)61-51-131)311-236(395)172(105-332)312-207(366)142(258)88-186(260)345/h22-25,32-35,42-61,95-97,116-126,142,145-184,201-206,276-277,331-343,414-419H,20-21,26-31,36-41,62-94,98-115,258H2,1-19H3,(H2,259,344)(H2,260,345)(H2,261,346)(H2,262,347)(H,271,284)(H,278,348)(H,279,367)(H,280,368)(H,281,369)(H,282,402)(H,283,404)(H,285,351)(H,286,349)(H,287,350)(H,288,352)(H,289,377)(H,290,387)(H,291,384)(H,292,397)(H,293,398)(H,294,408)(H,295,407)(H,296,378)(H,297,373)(H,298,388)(H,299,392)(H,300,399)(H,301,394)(H,302,393)(H,303,370)(H,304,385)(H,305,375)(H,306,379)(H,307,400)(H,308,383)(H,309,371)(H,310,380)(H,311,395)(H,312,366)(H,313,381)(H,314,374)(H,315,389)(H,316,396)(H,317,403)(H,318,372)(H,319,382)(H,320,386)(H,321,405)(H,322,409)(H,323,353)(H,324,401)(H,325,391)(H,326,406)(H,327,376)(H,328,390)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H,362,363)(H,364,365)(H,412,413)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | VBEQCZHXXJYVRD-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
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| Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Biospecimen Locations |
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| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 57260318 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Epidermal growth factor | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 155886638 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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Only showing the first 10 proteins. There are 32 proteins in total.
Enzymes
- General function:
- Involved in protein kinase activity
- Specific function:
- ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
- Gene Name:
- SRC
- Uniprot ID:
- P12931
- Molecular weight:
- 59834.3
- General function:
- Involved in protein serine/threonine kinase activity
- Specific function:
- Serine/threonine kinase that may play a role in mediating the growth-factor and stress induced activation of the transcription factor CREB. Essential role in the control of RELA transcriptional activity in response to TNF. Phosphorylates 'Ser- 10' of histone H3 in response to mitogenics, stress stimuli and epidemal growth-factor (EGF) and result in the transcriptional activation of several immediate early genes, including proto- oncogenes FOS and JUN. Mediates the mitogen- and stress-induced phosphorylation of high mobility group protein 14 (HMG-14)
- Gene Name:
- RPS6KA4
- Uniprot ID:
- O75676
- Molecular weight:
- 85605.0
- General function:
- Involved in protein serine/threonine kinase activity
- Specific function:
- General protein kinase capable of phosphorylating several known proteins
- Gene Name:
- AKT2
- Uniprot ID:
- P31751
- Molecular weight:
- 55768.3
- General function:
- Involved in protein kinase activity
- Specific function:
- Downstream effector of CDC42 which mediates CDC42- dependent cell migration via phosphorylation of BCAR1. Binds to both poly- and mono-ubiquitin and regulates ligand-induced degradation of EGFR. Participates in clathrin-mediated endocytosis. May be involved both in adult synaptic function and plasticity and in brain development
- Gene Name:
- TNK2
- Uniprot ID:
- Q07912
- Molecular weight:
- 114567.6
- General function:
- Involved in protein serine/threonine kinase activity
- Specific function:
- Plays a role as a key modulator of the AKT-mTOR signaling pathway controlling the tempo of the process of newborn neurons integration during adult neurogenesis, including correct neuron positioning, dendritic development and synapse formation. General protein kinase capable of phosphorylating several known proteins. Phosphorylates TBC1D4. Signals downstream of phosphatidylinositol 3-kinase (PI(3)K) to mediate the effects of various growth factors such as platelet-derived growth factor (PDGF), epidermal growth factor (EGF), insulin and insulin-like growth factor I (IGF-I). Plays a role in glucose transport by mediating insulin-induced translocation of the GLUT4 glucose transporter to the cell surface. Mediates the antiapoptotic effects of IGF-I. Mediates insulin-stimulated protein synthesis by phosphorylating TSC2 at 'Ser-939' and 'Thr-1462', thereby activating mTORC1 signaling and leading to both phosphorylation of 4E-BP1 and in activation of RPS6KB1. Promotes glycogen synthesis by mediating the insulin-induced activation of glycogen synthase
- Gene Name:
- AKT1
- Uniprot ID:
- P31749
- Molecular weight:
- 55686.0
- General function:
- Involved in intracellular signaling pathway
- Specific function:
- Converts transient diacylglycerol (DAG) signals into prolonged physiological effects, downstream of PKC. Involved in resistance to oxidative stress through activation of NF-kappa-B
- Gene Name:
- PRKD1
- Uniprot ID:
- Q15139
- Molecular weight:
- 101703.3
- General function:
- Involved in protein serine/threonine kinase activity
- Specific function:
- Serine/threonine kinase required for the mitogen or stress-induced phosphorylation of the transcription factors CREB (cAMP response element-binding protein) and ATF1 (activating transcription factor-1). Essential role in the control of RELA transcriptional activity in response to TNF. Directly represses transcription via phosphorylation of 'Ser-1' of histone H2A. Phosphorylates 'Ser-10' of histone H3 in response to mitogenics, stress stimuli and epidemal growth-factor (EGF), which results in the transcriptional activation of several immediate early genes, including proto-oncogenes c-fos/FOS and c-jun/JUN. May also phosphorylate 'Ser-28' of histone H3. Mediates the mitogen- and stress-induced phosphorylation of high mobility group protein 14 (HMG-14)
- Gene Name:
- RPS6KA5
- Uniprot ID:
- O75582
- Molecular weight:
- 89864.7
- General function:
- Involved in protein serine/threonine kinase activity
- Specific function:
- PKC is activated by diacylglycerol which in turn phosphorylates a range of cellular proteins. PKC also serves as the receptor for phorbol esters, a class of tumor promoters
- Gene Name:
- PRKCH
- Uniprot ID:
- P24723
- Molecular weight:
- 77828.0
- General function:
- Involved in protein kinase activity
- Specific function:
- Inhibits the basal activity of Jun kinase. Negatively regulated by epidermal growth factor (EGF). When overexpressed, may activate ERK1/ERK2 and JNK/SAPK
- Gene Name:
- TAOK3
- Uniprot ID:
- Q9H2K8
- Molecular weight:
- 105405.2
- General function:
- Involved in protein binding
- Specific function:
- Isoform GRB3-3 does not bind to phosphorylated epidermal growth factor receptor (EGFR) but inhibits EGF-induced transactivation of a RAS-responsive element. Isoform GRB3-3 acts as a dominant negative protein over GRB2 and by suppressing proliferative signals, may trigger active programmed cell death
- Gene Name:
- GRB2
- Uniprot ID:
- P62993
- Molecular weight:
- 25206.2
Only showing the first 10 proteins. There are 32 proteins in total.