HMDB0061532 RDKit 3D PE(MonoMe(11,5)/MonoMe(13,5)) 147148 0 0 0 0 0 0 0 0999 V2000 -1.5678 3.9201 -5.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 4.5880 -5.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 5.4794 -4.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 4.9101 -2.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 3.9100 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 2.5902 -2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 1.7252 -2.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 0.5845 -3.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2502 -0.6531 -2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 0.7634 -3.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8286 -0.1621 -4.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1403 -1.3763 -4.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -2.2510 -5.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 -1.5731 -6.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -1.4938 -5.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -0.6457 -6.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 -0.7068 -5.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -0.5252 -4.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6799 -0.5399 -3.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6706 -0.6033 -2.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -0.5830 -1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 0.6851 -1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 1.6959 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6014 2.7944 -0.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8664 1.4515 -0.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 2.2515 0.3137 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6725 1.6335 1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 2.4768 2.3319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3115 1.9552 3.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 0.7955 3.8484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 2.6606 4.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 1.7396 5.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 2.4399 6.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 1.5755 7.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 0.2962 7.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 -0.5131 8.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 -1.7972 7.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9868 -2.6106 8.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 -3.8727 8.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -4.9933 7.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -4.7412 6.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 -4.5851 6.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 -4.3837 4.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -4.1743 4.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -3.8212 2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 -2.5171 2.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -2.2947 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 -1.0058 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 -4.4029 4.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 -4.6260 5.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6055 -4.7309 5.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 2.8244 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.7937 -0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7285 2.3863 -1.7303 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0767 1.2419 -2.4593 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 3.0148 -0.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 3.5711 -2.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 3.0975 -3.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2637 4.1644 -4.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0358 3.5280 -5.9610 N 0 0 0 0 0 0 0 0 0 0 0 0 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79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 22 99 1 0 22100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 48134 1 0 49135 1 0 51136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 56141 1 0 58142 1 0 58143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 M END