HMDB0283753 RDKit 3D PE(TXB2/22:0) 149149 0 0 0 0 0 0 0 0999 V2000 -4.2783 0.1481 -10.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 -0.4491 -8.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5874 -0.1754 -8.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3146 1.3226 -8.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 1.6180 -8.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 1.1570 -6.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 1.8538 -5.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 1.5466 -4.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 0.1390 -3.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -0.4044 -4.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -1.8098 -3.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 -2.7977 -4.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -4.1002 -3.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2703 -4.7972 -3.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 -6.0194 -2.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1169 -6.8918 -2.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6336 -7.9470 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 -7.1790 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -7.9546 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -6.8621 2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -6.0790 1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8934 -4.8477 2.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -4.2353 2.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 -4.3290 3.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 -3.0693 4.0097 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0276 -3.1064 5.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -1.9235 6.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -1.6725 5.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -2.6031 5.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 -0.5514 6.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 0.5606 6.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 1.1182 5.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 2.2995 6.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 3.4531 5.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 3.7519 4.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 4.7661 4.5148 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5301 6.1068 5.0482 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1037 6.1582 6.3491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 7.0904 4.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0021 6.3944 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 6.2130 3.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 5.2214 5.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 4.2210 4.9846 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9734 3.5406 3.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 2.4309 4.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 1.8276 2.9245 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7582 2.1686 3.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 0.3640 2.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 -0.5185 1.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 -0.5074 1.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6536 0.6864 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 0.5424 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2371 -2.1047 3.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 -0.8474 3.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 0.2921 3.5339 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1039 -0.2957 2.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 0.6774 4.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4488 1.6933 2.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 2.1109 1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7059 3.3698 1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 3.7976 0.0618 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 1.2235 -10.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 -0.3476 -10.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 0.0816 -10.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 -0.0275 -8.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 -1.5536 -9.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3716 -0.6073 -7.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -0.6678 -9.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 1.7199 -9.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 1.8576 -7.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.2002 -8.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 2.7394 -8.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 0.0744 -6.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5083 1.4320 -6.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 1.5965 -6.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 2.9704 -5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 2.1798 -3.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 1.8712 -4.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 -0.4797 -4.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 0.0980 -2.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -0.5065 -5.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 0.2445 -3.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -2.2093 -3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -1.7419 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -2.4353 -4.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -2.9213 -5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -3.9723 -2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -4.7985 -4.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 -4.1314 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6579 -5.1136 -4.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -6.6000 -3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 -5.5954 -1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -6.4281 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -7.5386 -3.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7836 -8.4827 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4366 -8.6698 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 -6.1919 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 -6.8900 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -8.5489 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 -8.5491 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -7.3905 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 -6.2125 2.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -6.7603 1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -5.9202 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 -2.7768 3.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5335 -3.9754 5.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -3.0438 5.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -0.0791 5.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 -0.8985 6.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 1.3771 7.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 0.1293 7.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 1.3611 4.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 0.2801 5.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 2.2184 7.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1706 4.2832 6.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 2.8922 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 4.1937 4.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 4.9287 3.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 6.5091 4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 7.0854 6.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5451 7.7334 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 7.7687 5.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 7.0310 5.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 6.8478 2.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 3.4797 5.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9755 3.9703 2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 1.9492 5.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 2.2859 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8339 1.7500 4.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 0.0806 3.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 -0.0109 3.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1641 -0.5591 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -1.5957 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9545 -0.6665 2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 -1.4073 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 0.6238 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 1.6501 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 -0.4514 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7351 1.2970 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3266 0.7754 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -2.5234 4.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.3043 2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3037 0.4721 5.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 1.2964 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 2.2974 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 4.2081 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6771 3.1931 0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 4.2323 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 4.5330 0.3146 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 1 0 15 16 1 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 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 6 37119 1 6 38120 1 0 39121 1 0 39122 1 0 40123 1 0 41124 1 0 43125 1 1 44126 1 0 45127 1 0 46128 1 6 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 57143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 61148 1 0 61149 1 0 M END