HMDB0284793 RDKit 3D PE(TXB2/DiMe(11,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -11.4617 -1.8805 -3.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9693 -0.4782 -3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0656 0.4291 -2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7169 1.7917 -2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9899 2.8428 -1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8848 2.4620 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7886 2.0299 0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9606 1.7694 1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9871 1.2670 2.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2666 -0.2169 3.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3263 -0.7740 4.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8852 -0.8027 3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3654 -1.6671 2.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 -1.6075 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5689 -0.4530 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 0.1825 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6813 0.8812 1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 1.4768 1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 0.3599 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 -0.8623 1.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 0.5783 0.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0969 -0.5610 0.5216 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8752 -0.5571 1.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8009 -1.5356 1.7321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 -1.9109 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 -1.2180 0.0759 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -3.1002 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 -2.9345 2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -2.0271 2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 -0.6251 1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 0.0215 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7943 -0.6138 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1595 0.0346 -0.3125 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9286 -0.6737 -1.4144 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0608 -1.5979 -2.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3968 0.3072 -2.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4232 1.4058 -2.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 0.9529 -3.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0198 2.0980 -1.6043 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1816 1.5090 -0.3807 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3496 2.0537 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2983 2.7485 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4247 3.2610 0.6178 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0291 3.4370 1.9656 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6183 2.3558 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0887 2.2436 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2951 1.3240 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0028 -0.0695 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2779 -0.8965 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -0.4376 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -0.3687 -1.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 -0.2269 -3.3438 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1192 0.4336 -4.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2673 0.8414 -3.2828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -1.6881 -3.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 -2.7703 -3.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3445 -4.0016 -4.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -5.2234 -3.8621 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2915 2.0605 2.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0065 1.9318 3.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 18 93 1 0 22 94 1 6 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 1 34108 1 1 35109 1 0 36110 1 0 36111 1 0 37112 1 0 38113 1 0 40114 1 1 41115 1 0 42116 1 0 43117 1 6 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 54132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 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