HMDB0011672 RDKit 3D Aflatoxin B1 dialcohol 42 45 0 0 0 0 0 0 0 0999 V2000 -2.3436 3.6952 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3152 2.3099 0.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 1.5747 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 2.2201 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2086 1.5059 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1497 0.1398 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -0.4921 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 0.2056 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5473 -0.4775 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 -1.8118 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -2.3410 0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2505 -3.5276 0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 -1.2184 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -0.0184 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -2.4447 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -3.4380 -1.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -1.9613 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.3194 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1924 -0.7009 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 0.3889 1.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -1.3278 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4455 -0.3824 -0.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1158 0.9428 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5437 1.9294 -0.6375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 4.2505 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 4.0103 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 3.9991 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 3.2960 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6165 -1.2505 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1516 -1.2075 1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0007 0.8911 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5112 0.0212 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5991 -2.2828 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 -2.4440 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5871 -1.1503 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4838 -1.4558 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 0.2359 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5478 -2.2497 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.5781 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4185 0.3837 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 1.0831 -2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1938 0.9966 -1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 10 15 1 0 15 16 2 0 15 17 1 0 6 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 18 23 1 0 23 24 1 0 8 3 1 0 14 9 1 0 24 5 1 0 17 7 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 23 42 1 0 M END