HMDB0280218 RDKit 3D PIP(TXB2/22:2(13Z,16Z)) 163164 0 0 0 0 0 0 0 0999 V2000 18.0274 2.3739 -1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0181 2.6855 -0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5897 2.4504 -1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3294 1.0225 -1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6174 0.0871 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3719 -1.3039 -0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5371 -2.1204 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6152 -1.9094 0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5538 -0.6712 1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4839 0.0993 1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2531 -0.1889 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0944 -0.2951 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8601 -0.6100 1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6878 -0.7167 2.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4675 0.5951 2.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2069 1.7443 1.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 1.3765 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 2.4509 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 2.2829 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 1.1578 -1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 -0.2209 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -0.2783 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8726 0.1765 0.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 -0.8561 -0.6934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -0.9117 0.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0393 -2.3318 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -2.6495 1.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -3.4095 2.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -4.1881 3.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3779 -3.3394 1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3051 -3.9063 3.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6186 -4.3720 2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4159 -3.2646 1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -3.4336 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9866 -4.6390 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0201 -4.4976 -0.8626 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2524 -3.9305 -1.4308 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8583 -4.8413 -2.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3356 -3.5025 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6140 -1.9919 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6089 -1.3829 0.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7672 -1.3970 -1.5151 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3547 -0.1233 -1.2362 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5888 0.7368 -1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6829 1.6824 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8760 2.5705 -0.0222 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.2816 2.5057 1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5089 3.9733 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6563 4.9060 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2173 5.0415 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1732 5.5575 2.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6985 6.9258 1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4606 0.3315 -2.3660 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0733 1.4967 -2.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0781 0.7208 -1.9053 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1203 1.2972 -0.6589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7882 2.9565 -0.6746 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0335 3.7926 -0.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0193 3.3014 0.8044 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7614 3.3003 -1.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 -0.3432 -2.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7384 0.1779 -2.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 0.3707 -0.5441 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5099 1.7905 -0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1752 0.2036 0.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.6250 -0.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5656 -0.0704 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 -1.5802 -1.2886 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9683 -1.9731 -0.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -2.7977 -2.1517 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4197 -2.9102 -2.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7222 -4.0409 -1.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0747 -5.0718 -2.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2964 3.2604 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7489 1.5754 -2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9842 2.0678 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2436 2.1626 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1033 3.7802 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9540 2.6620 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3619 3.0913 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9227 0.6695 -2.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2605 0.9359 -1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7660 0.1692 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 0.5056 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0006 -1.7200 -1.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5278 -3.1782 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9416 -2.6976 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5879 -2.3360 0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4009 -0.3267 2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 1.0316 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0307 0.6941 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2067 -1.0582 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0484 0.6833 2.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -1.0743 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 0.1407 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9752 -1.5840 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -1.1312 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9936 -1.4438 2.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5229 0.4564 3.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 0.7671 3.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0264 2.6366 2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0004 1.8955 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2322 0.4660 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 1.2762 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 2.6249 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 3.4328 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 2.2417 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 3.2738 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2204 1.3658 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 1.1863 -2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 -0.7035 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 -0.8597 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -0.4516 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 -2.5316 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -2.9965 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 -3.9847 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7169 -2.3284 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 -3.1897 3.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8099 -4.7999 3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4701 -5.2347 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 -4.7829 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9472 -2.2624 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3256 -2.6277 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2015 -5.4427 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9088 -5.1650 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0767 -5.6107 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0878 -3.0594 -2.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9204 -5.7433 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2063 -3.7043 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3285 -3.9968 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6535 -1.8188 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3962 -1.7282 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8576 -0.0606 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4212 0.5898 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8461 1.8399 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7058 2.1661 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7900 1.7893 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1489 4.0263 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6192 4.3278 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3852 5.9424 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4969 4.6099 -0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9900 5.8724 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7744 4.1835 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6545 5.6649 3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3325 4.8655 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0288 6.8337 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2119 7.4996 2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5716 7.5215 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4259 -0.3659 -3.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4126 1.8887 -3.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7614 1.5521 -2.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4413 2.7496 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 4.1823 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1462 -0.6569 -3.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 0.6335 1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 0.0095 -1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5094 0.9405 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 -1.3771 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 -2.5663 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3296 -2.4531 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 -3.3959 -3.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 -3.9539 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 -5.7855 -1.5104 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 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 43 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 55 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 63 66 1 0 66 67 1 0 61 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 67 25 1 0 72 36 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 20109 1 0 20110 1 0 21111 1 0 21112 1 0 25113 1 1 26114 1 0 26115 1 0 30116 1 0 30117 1 0 31118 1 0 31119 1 0 32120 1 0 32121 1 0 33122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 6 37127 1 6 38128 1 0 39129 1 0 39130 1 0 40131 1 0 41132 1 0 43133 1 1 44134 1 0 45135 1 0 46136 1 6 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 52146 1 0 52147 1 0 52148 1 0 53149 1 6 54150 1 0 55151 1 6 59152 1 0 60153 1 0 61154 1 6 65155 1 0 67156 1 0 67157 1 0 68158 1 1 69159 1 0 70160 1 6 71161 1 0 72162 1 1 73163 1 0 M END