@MOLECULE FDBD03112 40 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6893 0.6076 -5.4612 C.3 1 UNK 0.0013 2 N -0.5569 0.2070 -4.0583 N.am 1 UNK -0.3245 3 C1 -0.7016 1.2044 -2.9950 C.3 1 UNK 0.0013 4 C2 -0.3022 -1.0790 -3.7458 C.2 1 UNK 0.1195 5 S -0.1332 -2.2445 -4.9884 S.2 1 UNK -0.0271 6 S1 -0.1475 -1.5471 -2.1063 S.3 1 UNK -0.0269 7 S2 0.2218 -3.5599 -2.3423 S.3 1 UNK -0.0242 8 C3 1.9650 -3.5234 -2.5963 C.2 1 UNK 0.1330 9 N1 2.6029 -2.3828 -2.5876 N.2 1 UNK -0.2685 10 C4 4.0567 -2.3552 -2.7663 C.3 1 UNK 0.0569 11 C5 4.5582 -0.9148 -2.6449 C.3 1 UNK 0.0296 12 N2 6.0120 -0.8871 -2.8235 N.am 1 UNK -0.3305 13 C6 6.6769 0.2833 -2.7571 C.2 1 UNK 0.1175 14 S3 5.8227 1.7377 -2.4641 S.2 1 UNK -0.0273 15 S4 8.3759 0.3156 -2.9658 S.3 1 UNK -0.0273 16 S5 8.7243 2.3345 -2.7513 S.3 1 UNK -0.0271 17 C7 8.8380 2.4370 -1.0461 C.2 1 UNK 0.1195 18 S6 8.6576 1.0284 -0.0900 S.2 1 UNK -0.0271 19 N3 9.0696 3.6266 -0.4565 N.am 1 UNK -0.3245 20 C8 9.1669 3.7143 1.0027 C.3 1 UNK 0.0013 21 C9 9.2240 4.8320 -1.2747 C.3 1 UNK 0.0013 22 S7 2.8483 -5.0247 -2.8621 S.3 1 UNK -0.1162 23 H 0.2871 0.8969 -5.8501 H 1 UNK 0.0428 24 H1 -1.0788 -0.2281 -6.0425 H 1 UNK 0.0428 25 H2 -1.3745 1.4521 -5.5349 H 1 UNK 0.0428 26 H3 -1.7465 1.2618 -2.6903 H 1 UNK 0.0428 27 H4 -0.0893 0.9159 -2.1405 H 1 UNK 0.0428 28 H5 -0.3764 2.1775 -3.3629 H 1 UNK 0.0428 29 H6 4.5287 -2.9700 -1.9999 H 1 UNK 0.0524 30 H7 4.3092 -2.7459 -3.7520 H 1 UNK 0.0524 31 H8 4.0862 -0.2999 -3.4112 H 1 UNK 0.0479 32 H9 4.3057 -0.5240 -1.6591 H 1 UNK 0.0479 33 H10 6.4960 -1.7112 -2.9895 H 1 UNK 0.1471 34 H11 10.2032 3.5675 1.3072 H 1 UNK 0.0428 35 H12 8.8274 4.6967 1.3310 H 1 UNK 0.0428 36 H13 8.5426 2.9441 1.4554 H 1 UNK 0.0428 37 H14 9.1209 4.5717 -2.3281 H 1 UNK 0.0428 38 H15 8.4564 5.5566 -1.0026 H 1 UNK 0.0428 39 H16 10.2095 5.2646 -1.1020 H 1 UNK 0.0428 40 H17 4.1321 -4.5088 -3.1334 H 1 UNK 0.1091 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 4 1 7 3 26 1 8 3 27 1 9 3 28 1 10 4 5 2 11 4 6 1 12 6 7 1 13 7 8 1 14 8 9 2 15 8 22 1 16 9 10 1 17 10 11 1 18 10 29 1 19 10 30 1 20 11 12 1 21 11 31 1 22 11 32 1 23 12 13 1 24 12 33 1 25 13 14 2 26 13 15 1 27 15 16 1 28 16 17 1 29 17 18 2 30 17 19 1 31 19 20 1 32 19 21 1 33 20 34 1 34 20 35 1 35 20 36 1 36 21 37 1 37 21 38 1 38 21 39 1 39 22 40 1