HMDB0284792 RDKit 3D PE(DiMe(11,5)/TXB2) 144145 0 0 0 0 0 0 0 0999 V2000 17.6653 0.2491 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2515 -0.3317 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3205 0.6210 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1214 1.9308 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4549 2.0306 -1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0208 1.5969 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9905 2.4062 -1.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8461 1.7607 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5446 2.4429 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1244 2.5701 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9005 1.4012 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7966 0.4690 0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 1.1428 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3282 0.0952 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 -0.8783 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 -0.2090 2.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 0.2026 3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7111 0.8560 2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0296 -0.1518 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1397 -0.2244 0.4737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -1.0747 2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 -2.1037 1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -1.8370 0.8187 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2236 -1.8384 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 -2.2440 -1.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9736 -2.2860 -3.0557 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4857 -1.0781 -3.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6977 -2.4058 -3.2963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 -3.6510 -3.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 -4.6152 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4553 -5.8607 -3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -5.5910 -3.5436 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -0.9214 1.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 -1.2215 1.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 -2.4453 1.5617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 -0.1940 1.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 0.2105 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 -0.9927 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3337 -1.5497 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 -1.6981 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3474 -1.3073 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4203 -0.2373 0.0221 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4772 -0.6189 0.9933 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6887 -1.9964 0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3026 -0.0855 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8022 1.3381 2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7586 2.0789 1.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5782 1.3405 1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7870 1.0813 0.2398 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5206 2.2084 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6139 2.1265 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2649 3.3354 -1.6857 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5699 3.1899 -3.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4875 3.7191 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4252 2.5248 -0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6508 2.8494 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5721 1.6368 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8167 0.4722 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1357 0.4586 -1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2149 -0.6761 -1.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 0.3364 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2533 -0.9557 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6688 1.3233 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0783 0.2102 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3193 -0.3346 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9354 -0.6565 -1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3085 -1.2485 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8096 0.8222 1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3896 0.0866 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0704 2.5621 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4712 2.5361 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 1.4231 -2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4480 3.0986 -1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6286 3.4861 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7416 1.9756 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8249 3.2747 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 3.1662 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8411 0.7796 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6891 1.7667 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 -0.0474 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8454 -0.3639 1.5434 H 0 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1 0 18 92 1 0 18 93 1 0 22 94 1 0 22 95 1 0 23 96 1 6 24 97 1 0 24 98 1 0 28 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 6 43117 1 6 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 49123 1 6 50124 1 0 51125 1 0 52126 1 6 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 60139 1 0 60140 1 0 60141 1 0 62142 1 0 62143 1 0 62144 1 0 M END