HMDB0240712 RDKit 3D Bisphenol S 27 28 0 0 0 0 0 0 0 0999 V2000 0.2107 2.8238 0.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 1.3670 1.3051 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.0045 1.3387 2.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 0.7848 0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 1.2546 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 0.7355 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -0.2400 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0685 -0.7463 -0.7514 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -0.6946 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 -0.1891 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4575 0.4548 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 0.8122 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 0.1072 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 -1.0002 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7501 -1.7028 -0.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 -1.3811 0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 -0.6539 1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 2.0211 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 1.1003 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 -1.5540 -1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -1.4688 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.5999 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 1.6803 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 0.4128 -1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6726 -1.4248 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -2.2511 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4149 -0.9865 2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 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 5 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 12 23 1 0 13 24 1 0 15 25 1 0 16 26 1 0 17 27 1 0 M END