HMDB0061538 RDKit 3D PE(MonoMe(13,5)/DiMe(9,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -3.3688 -1.6617 10.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 -1.2586 10.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 -1.6193 8.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -3.0946 8.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 -3.5481 7.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -2.9856 6.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 -3.3105 4.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5856 -2.5864 3.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 -2.6323 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 -1.8386 4.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 -0.8806 4.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 0.4282 3.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 1.1002 4.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 2.2883 4.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 3.4726 3.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 3.2695 2.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 2.8898 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 2.5692 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 3.7508 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7757 3.4314 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7835 3.0250 -2.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 3.9420 -3.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 4.5567 -2.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 5.7214 -1.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 3.9490 -1.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2962 4.6774 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 4.0341 -0.8464 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4267 3.8062 -2.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 5.0038 -2.8283 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 4.8929 -4.2223 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7428 6.3135 -4.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 4.0989 -3.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 4.1036 -5.4902 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1782 4.4509 -6.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 3.7205 -7.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 4.0542 -7.8496 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 2.8366 -0.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 2.7541 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 3.8390 1.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1762 1.6429 2.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 0.2836 1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -0.1605 0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -1.5502 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 -2.2362 -0.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -1.8110 -1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -0.5038 -2.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 -0.3611 -3.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3228 -1.4099 -3.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -2.2716 -2.9015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 -3.0749 -3.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 -4.1293 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8144 -5.4984 -2.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -6.1294 -4.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 -6.3544 -4.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 -6.9599 -6.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 -2.6972 -4.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 -3.2144 -5.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8858 -1.6299 -4.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -0.9030 -6.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -2.1125 5.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 -0.7535 9.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6904 -2.4169 9.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 -1.9503 11.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8578 -0.1627 10.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -1.8021 10.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 -1.2082 8.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 -1.0273 7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -3.5610 8.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 -3.5304 9.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -4.6482 7.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -3.2610 7.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 -4.0040 4.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 -3.0016 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 -3.3995 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -1.6594 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -0.6640 5.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 -1.3269 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 1.0611 3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 0.3410 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 1.3936 5.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 0.3306 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1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 0 26101 1 0 27102 1 1 28103 1 0 28104 1 0 32105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 55138 1 0 57139 1 0 57140 1 0 57141 1 0 59142 1 0 59143 1 0 59144 1 0 M END