HMDB0093360 RDKit 3D DG(14:0/0:0/i-15:0) 99 98 0 0 0 0 0 0 0 0999 V2000 16.3753 -0.1140 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9844 -0.6580 0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9927 0.4598 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6155 -0.1851 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5985 0.8840 0.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2378 0.2679 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7272 -0.4840 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -1.0748 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3471 -0.0141 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.5271 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 -1.2936 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 -0.5129 -1.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 0.7394 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 0.4993 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.6773 -0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 1.5259 -0.9981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8131 1.4621 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 0.7607 -1.6762 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3077 -0.5457 -1.8134 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 1.0569 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 0.5302 -0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 -0.7693 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 -1.6616 -0.8056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0267 -1.0832 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4821 0.1730 1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 1.0964 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 0.7651 0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9639 -0.3100 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4266 -0.3640 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2724 -0.6131 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7562 -0.6948 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6410 -0.9166 1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0775 -0.9971 0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5242 0.2424 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9771 0.1465 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4037 1.4118 -0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8498 -0.0162 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5590 0.0702 -1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1028 -0.8600 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5446 0.8175 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7064 -1.1900 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9781 -1.3814 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9524 1.2171 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2678 0.9728 1.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6594 -0.8705 1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 -0.6889 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 1.6186 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8590 1.4494 1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3370 -0.4207 2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5605 1.1093 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6098 0.2710 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -1.2543 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3645 -1.7913 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 -1.5635 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 0.6689 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6259 0.5972 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 0.2501 1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0366 -1.2498 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 -2.1566 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3992 -1.6993 0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7072 -1.2033 -2.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 -0.3636 -2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 1.4837 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4081 1.1691 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6753 1.0263 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4528 2.5399 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 1.2584 -2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2894 -0.8372 -2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9726 0.7166 -2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6202 2.1636 -1.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7752 -1.8413 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2188 -1.5278 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7866 -0.0335 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 0.7504 2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 1.9919 1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 1.6736 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 1.7183 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4135 0.6742 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 -1.3479 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4118 -0.1592 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7343 0.5855 -1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5471 -1.1649 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2526 0.1779 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9453 -1.5510 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8513 -1.5397 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9964 0.2833 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3591 -1.8806 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5661 -0.1192 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2065 -1.8636 0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7464 -1.1862 1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3276 1.1518 0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9534 0.3965 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1055 -0.7081 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6545 1.2208 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5899 2.1794 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2736 1.9050 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0668 -1.0955 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8194 0.5148 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3047 0.4170 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 7 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 9 56 1 0 10 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 13 64 1 0 17 65 1 0 17 66 1 0 18 67 1 6 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 26 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 37 99 1 0 M END