@MOLECULE FDBD02102 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3136 1.5428 0.9413 C.3 1 UNK -0.0539 2 C1 -0.2814 0.0225 0.7723 C.3 1 UNK 0.0206 3 S 0.7824 -0.7055 2.0486 S.O 1 UNK 0.0227 4 O 0.2238 -0.4538 3.3308 O.2 1 UNK -0.2572 5 C2 0.6947 -2.4813 1.6889 C.3 1 UNK 0.0329 6 C3 1.5543 -3.2486 2.6955 C.3 1 UNK 0.0160 7 S1 1.3483 -5.0314 2.4314 S.3 1 UNK -0.0403 8 P 2.5020 -5.3920 0.6898 P.3 1 UNK 0.3907 9 O1 2.5453 -6.8463 0.4190 O.2 1 UNK -0.2458 10 O2 1.8343 -4.6325 -0.5630 O.3 1 UNK -0.3035 11 C4 0.5460 -4.9699 -1.0811 C.3 1 UNK 0.0465 12 O3 3.9988 -4.8431 0.9144 O.3 1 UNK -0.3035 13 C5 4.8908 -5.3908 1.8873 C.3 1 UNK 0.0465 14 H -0.9411 1.9721 0.1884 H 1 UNK 0.0238 15 H1 0.6778 1.9335 0.8447 H 1 UNK 0.0238 16 H2 -0.7000 1.7860 1.9090 H 1 UNK 0.0238 17 H3 0.1050 -0.2207 -0.1954 H 1 UNK 0.0398 18 H4 -1.2728 -0.3681 0.8690 H 1 UNK 0.0398 19 H5 1.0572 -2.6630 0.6987 H 1 UNK 0.0409 20 H6 -0.3207 -2.8105 1.7630 H 1 UNK 0.0409 21 H7 1.2488 -2.9977 3.6898 H 1 UNK 0.0391 22 H8 2.5824 -2.9845 2.5610 H 1 UNK 0.0391 23 H9 0.3162 -4.3320 -1.9089 H 1 UNK 0.0529 24 H10 -0.1910 -4.8410 -0.3162 H 1 UNK 0.0529 25 H11 0.5481 -5.9893 -1.4062 H 1 UNK 0.0529 26 H12 5.8228 -4.8663 1.8519 H 1 UNK 0.0529 27 H13 5.0562 -6.4267 1.6764 H 1 UNK 0.0529 28 H14 4.4613 -5.2895 2.8621 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 8 12 1 11 10 11 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 11 23 1 23 11 24 1 24 11 25 1 25 13 26 1 26 13 27 1 27 13 28 1