HMDB0032133 RDKit 3D Bisphenol A 33 34 0 0 0 0 0 0 0 0999 V2000 -0.1953 -2.3185 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -0.9478 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 -1.1720 -1.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 -0.0960 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2465 -0.6074 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 0.1020 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 1.3724 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 2.1093 0.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 1.8909 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 1.1549 -0.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -0.3735 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -0.2652 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 0.2905 1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 0.7540 1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 1.3162 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3749 0.6369 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 0.0839 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -2.8610 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -2.8481 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 -2.1549 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -1.7875 -2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -1.7439 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1603 -0.2288 -2.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 -1.5973 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2444 -0.3035 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4484 1.9975 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 2.8897 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 1.5963 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 -0.6233 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 0.3744 2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 2.3331 1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 1.0004 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 0.0262 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 4 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 M END