@MOLECULE FDBD03003 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8560 -5.2990 0.5812 C.3 1 UNK 0.0000 2 N -1.7885 -4.3181 0.3704 N.am 1 UNK 0.0000 3 C1 -1.1434 -3.6791 1.5200 C.3 1 UNK 0.0000 4 C2 -1.3999 -4.0035 -0.8813 C.2 1 UNK 0.0000 5 S -2.1538 -4.7503 -2.2247 S.2 1 UNK 0.0000 6 S1 -0.1160 -2.8237 -1.1348 S.3 1 UNK 0.0000 7 As 0.1124 -2.9693 -3.3584 As 1 UNK 0.0000 8 S2 0.6006 -5.0815 -3.9222 S.3 1 UNK 0.0000 9 C3 2.1062 -5.2955 -3.0323 C.2 1 UNK 0.0000 10 S3 2.7330 -4.0115 -2.0890 S.2 1 UNK 0.0000 11 N1 2.7645 -6.4699 -3.0942 N.am 1 UNK 0.0000 12 C4 4.0164 -6.6478 -2.3543 C.3 1 UNK 0.0000 13 C5 2.2282 -7.5686 -3.9013 C.3 1 UNK 0.0000 14 S4 -1.8017 -2.3560 -4.3473 S.3 1 UNK 0.0000 15 C6 -1.8396 -0.6498 -3.9088 C.2 1 UNK 0.0000 16 S5 -0.5194 0.0484 -3.0718 S.2 1 UNK 0.0000 17 N2 -2.9078 0.1056 -4.2324 N.am 1 UNK 0.0000 18 C7 -2.9393 1.5241 -3.8679 C.3 1 UNK 0.0000 19 C8 -4.0375 -0.4919 -4.9487 C.3 1 UNK 0.0000 20 H -3.0273 -5.4197 1.6305 H 1 UNK 0.0000 21 H1 -2.5668 -6.2377 0.1567 H 1 UNK 0.0000 22 H2 -3.7536 -4.9561 0.1104 H 1 UNK 0.0000 23 H3 -1.5786 -4.0495 2.4246 H 1 UNK 0.0000 24 H4 -1.2836 -2.6198 1.4644 H 1 UNK 0.0000 25 H5 -0.0968 -3.9013 1.5107 H 1 UNK 0.0000 26 H6 4.2499 -5.7468 -1.8266 H 1 UNK 0.0000 27 H7 4.8064 -6.8749 -3.0393 H 1 UNK 0.0000 28 H8 3.9072 -7.4517 -1.6566 H 1 UNK 0.0000 29 H9 1.3155 -7.2578 -4.3652 H 1 UNK 0.0000 30 H10 2.0391 -8.4136 -3.2727 H 1 UNK 0.0000 31 H11 2.9383 -7.8368 -4.6554 H 1 UNK 0.0000 32 H12 -2.0362 1.7806 -3.3545 H 1 UNK 0.0000 33 H13 -3.7776 1.7097 -3.2294 H 1 UNK 0.0000 34 H14 -3.0271 2.1181 -4.7536 H 1 UNK 0.0000 35 H15 -3.8384 -1.5278 -5.1282 H 1 UNK 0.0000 36 H16 -4.1744 0.0120 -5.8826 H 1 UNK 0.0000 37 H17 -4.9248 -0.3963 -4.3585 H 1 UNK 0.0000 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 7 14 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 11 13 1 14 14 15 1 15 15 16 2 16 15 17 1 17 17 18 1 18 17 19 1 19 1 20 1 20 1 21 1 21 1 22 1 22 3 23 1 23 3 24 1 24 3 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1 31 18 32 1 32 18 33 1 33 18 34 1 34 19 35 1 35 19 36 1 36 19 37 1