HMDB0285518 RDKit 3D PE(TXB2/P-18:1(9Z)) 134134 0 0 0 0 0 0 0 0999 V2000 -14.8062 5.3800 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3989 3.9647 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8939 3.2766 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6900 4.0122 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5593 4.0582 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0936 2.6954 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6026 1.9172 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1229 0.5223 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6315 -0.2496 1.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3985 -0.6847 1.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3791 -0.4587 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8928 -1.8166 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8586 -1.5827 -0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3266 -2.8629 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 -3.7214 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 -4.9724 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -4.7532 -1.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2749 -3.6675 -1.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -2.4917 -1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -1.6189 -0.7908 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6900 -1.1893 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -0.2997 -1.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 0.9352 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 1.2597 -0.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 1.8713 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 1.6638 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 0.3252 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 0.2477 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 0.0385 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -0.1414 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 0.9151 0.2671 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5951 0.6400 1.5763 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6995 0.6467 2.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 -0.7319 1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 -0.9106 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 -0.5385 0.5333 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5594 -0.3960 -0.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9037 0.7984 -0.8377 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7904 1.9970 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 2.4095 -1.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3875 3.6108 -1.6174 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5429 4.6886 -1.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3569 3.3953 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2313 2.2288 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 1.9321 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1610 3.0741 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9832 3.4967 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 -2.3831 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -2.8138 1.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 -3.6629 2.3005 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9586 -2.7363 2.6683 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -4.1397 3.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -5.0224 1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 -6.0378 1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -7.2737 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -6.9858 -0.4878 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.8082 5.5756 -0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0329 6.0462 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8858 5.5989 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6335 3.9107 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2762 3.3931 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6880 2.2281 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6940 3.3291 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0465 5.0563 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3938 3.5383 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8069 4.6516 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7068 4.5721 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2127 2.7875 -0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8550 2.1028 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4696 1.7959 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7863 2.4824 1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1008 0.0245 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5098 0.5546 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2799 -0.5019 2.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0468 -1.2700 2.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 0.0332 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6469 0.1429 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7566 -2.3939 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 -2.3709 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -1.0211 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 -0.9656 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2593 -3.4610 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7821 -2.7460 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -3.1223 0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 -4.0201 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -5.5648 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 -5.5724 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -5.6141 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 -3.6693 -2.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -0.7823 -0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -2.0894 -2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4557 -0.7607 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 2.9118 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 1.9581 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 1.6627 0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9025 2.5028 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -0.4091 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -0.0291 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 0.3629 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5949 -0.0089 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -1.1039 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2541 -0.3091 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 1.9391 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 1.3582 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 0.5946 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -1.4940 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9147 -0.8389 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1255 -2.0310 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 -1.0034 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3396 0.9060 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 2.5596 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5232 1.8319 -2.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8992 3.9104 -2.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9009 4.4463 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7344 3.1745 0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9189 4.3136 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5962 1.3520 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7490 2.4647 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8408 1.0588 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6817 1.7211 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5930 3.9332 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8629 2.7513 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0241 2.7678 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6171 4.4991 -0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0473 3.6737 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -3.2414 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3144 -1.7183 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -3.6450 3.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -5.7367 1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -6.2777 2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -8.0878 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9062 -7.6374 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -7.5810 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8092 -7.2576 -0.9820 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 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 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 20 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 38 31 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 18 89 1 0 20 90 1 1 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 1 32104 1 1 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 38110 1 6 39111 1 0 40112 1 0 41113 1 6 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 M END