HMDB0006552 RDKit 3D Aflatoxin B1 35 39 0 0 0 0 0 0 0 0999 V2000 -1.5806 3.5811 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 2.2082 0.1902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4038 1.4591 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 2.0104 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 1.2044 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8199 -0.1518 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -0.7186 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4216 -2.0068 -0.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 -2.5657 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 -3.7941 -0.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -1.8152 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 -0.4529 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5461 0.0968 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1366 0.1431 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 -0.9449 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -2.1816 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 -3.3288 -0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1327 -0.7748 -0.7277 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3938 -1.8129 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -1.3018 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 0.0239 0.9768 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.3442 -0.3291 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3022 1.5227 -0.4098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5599 3.8839 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 4.0988 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 3.9348 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 3.0648 0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 1.0118 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 0.4570 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4896 -0.7867 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -0.9813 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3069 -1.1256 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 -2.8302 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 -1.8604 2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 0.3892 -1.0007 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 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 6 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 13 3 1 0 22 18 1 0 23 5 1 0 13 7 2 0 16 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 14 28 1 0 14 29 1 0 15 30 1 0 15 31 1 0 18 32 1 6 19 33 1 0 20 34 1 0 22 35 1 6 M END