HMDB0284065 RDKit 3D PE(TXB2/22:4(7Z,10Z,13Z,16Z)) 141141 0 0 0 0 0 0 0 0999 V2000 -18.9117 -1.4291 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2058 -1.0496 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1944 -0.0007 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4108 0.4946 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6635 -0.7238 -0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8694 -0.2187 -1.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5899 -0.2990 -2.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5060 -0.9002 -1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9139 -1.6316 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5779 -1.3206 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7227 -0.1801 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5746 -0.7664 2.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3411 -0.5818 1.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8717 0.2071 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0924 -0.6322 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8164 -0.4017 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 0.6781 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4322 1.6373 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4884 0.9428 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 1.9030 -2.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 2.9455 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 2.0981 -1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.7799 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8364 1.6341 -1.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.8350 -0.6607 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2425 1.4968 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 0.6985 0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 0.9327 0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 1.9790 0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -0.0377 1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 0.5475 2.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 -0.2897 3.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3779 -0.0472 3.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.8753 3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 1.9113 2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8757 1.8699 0.9635 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3539 3.0419 0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2762 4.1906 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2572 3.1582 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6878 2.8225 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 3.4983 -1.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8786 3.1319 0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2655 2.1427 1.3964 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1647 0.9850 1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8519 -0.2492 1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8377 -1.3340 1.4144 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6095 -2.3875 0.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2464 -0.8099 1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4929 -0.2385 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8012 0.3729 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0329 -0.4512 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3676 -0.9934 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1421 -0.5579 -1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8743 -1.2403 -0.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 -2.8193 -0.7767 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1939 -3.2845 -1.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 -3.8475 0.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -2.7987 -2.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 -3.9242 -2.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -3.8980 -3.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -2.7177 -4.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.3068 -0.5020 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0904 -1.8031 2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6760 -2.1961 1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9796 -0.7243 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7084 -1.9622 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5013 -0.3776 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7481 0.8417 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0935 0.9162 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5964 1.1693 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4666 -1.4134 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1743 -1.1751 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4823 0.3107 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2719 0.2182 -3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7083 -0.1236 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0137 -1.6497 -2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5164 -2.5433 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9654 -1.9699 1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5053 0.5610 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3693 0.3456 2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7874 -1.3906 3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5629 -1.0816 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3549 1.0865 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7464 0.5655 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6388 -1.4535 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3116 -1.0864 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1886 0.1445 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5533 1.2739 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2605 2.0468 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9679 2.4859 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 0.1350 -2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7367 0.3889 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 1.3108 -3.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 2.3342 -3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 3.4747 -2.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 3.5789 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 0.6913 0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 2.4713 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 1.6219 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9949 -0.9868 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -0.1367 2.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 0.5619 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 1.5637 2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 -1.4095 2.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 -0.2365 4.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8270 -0.7610 4.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2321 0.8616 3.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9887 2.2340 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 2.8844 2.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7915 1.0099 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 2.7652 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 4.9376 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8769 2.5159 -1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 4.2108 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 1.7184 -0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4225 2.8955 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1915 2.6721 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1480 1.1909 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8675 -0.5275 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7369 -1.7845 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 -2.0696 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5035 -0.1675 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9377 -1.7170 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2404 -1.0643 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7110 0.5279 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7488 0.7418 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8827 1.3121 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9391 0.1420 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9607 -1.2965 -0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2139 -2.0940 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8343 -0.4614 1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4919 -0.9031 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 -0.4864 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7917 -1.1058 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1705 -4.7309 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -4.8595 -2.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -3.8801 -3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -4.7835 -4.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -3.9812 -3.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -2.7750 -5.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -1.8671 -4.2463 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 43 36 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 1 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 6 37111 1 6 38112 1 0 39113 1 0 39114 1 0 40115 1 0 41116 1 0 43117 1 1 44118 1 0 45119 1 0 46120 1 1 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 57135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 61140 1 0 61141 1 0 M END