@MOLECULE FDBD03118 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0280 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0978 3 C2 0.7421 -0.5109 1.2415 C.3 1 UNK -0.0280 4 O -1.3386 -0.4987 0.0122 O.3 1 UNK -0.4582 5 C3 -1.5587 -1.6843 -0.5933 C.2 1 UNK 0.3480 6 O1 -0.6359 -2.2814 -1.1156 O.2 1 UNK -0.2446 7 C4 -2.8642 -2.2341 -0.6208 C.2 1 UNK 0.1622 8 C5 -3.0930 -3.4666 -1.2502 C.2 1 UNK 0.0619 9 S -1.8607 -4.4321 -2.0314 S.3 1 UNK -0.1166 10 C6 -2.7950 -5.8491 -2.6180 C.3 1 UNK 0.0082 11 C7 -4.2583 -5.7560 -2.2682 C.3 1 UNK 0.0082 12 S1 -4.6495 -4.2583 -1.3580 S.3 1 UNK -0.1166 13 C8 -3.9386 -1.5389 -0.0127 C.2 1 UNK 0.3480 14 O2 -5.0599 -2.0112 -0.0364 O.2 1 UNK -0.2446 15 O3 -3.7184 -0.3533 0.5927 O.3 1 UNK -0.4582 16 C9 -4.8474 0.2921 1.1851 C.3 1 UNK 0.0978 17 C10 -4.9888 -0.1609 2.6396 C.3 1 UNK -0.0280 18 C11 -4.6495 1.8086 1.1401 C.3 1 UNK -0.0280 19 H 0.9851 1.8962 0.0028 H 1 UNK 0.0265 20 H1 -0.5195 1.8709 0.8908 H 1 UNK 0.0265 21 H2 -0.5363 1.8802 -0.8564 H 1 UNK 0.0265 22 H3 0.5029 -0.3492 -0.8783 H 1 UNK 0.0728 23 H4 0.2413 -0.1658 2.1218 H 1 UNK 0.0265 24 H5 1.7459 -0.1405 1.2339 H 1 UNK 0.0265 25 H6 0.7566 -1.5808 1.2356 H 1 UNK 0.0265 26 H7 -2.3911 -6.7349 -2.1741 H 1 UNK 0.0388 27 H8 -2.7151 -5.8742 -3.6847 H 1 UNK 0.0388 28 H9 -4.5229 -6.6017 -1.6685 H 1 UNK 0.0388 29 H10 -4.8123 -5.7361 -3.1834 H 1 UNK 0.0388 30 H11 -5.7323 0.0316 0.6429 H 1 UNK 0.0728 31 H12 -4.1039 0.0996 3.1819 H 1 UNK 0.0265 32 H13 -5.1272 -1.2214 2.6710 H 1 UNK 0.0265 33 H14 -5.8342 0.3224 3.0831 H 1 UNK 0.0265 34 H15 -3.7646 2.0691 1.6823 H 1 UNK 0.0265 35 H16 -5.4948 2.2919 1.5837 H 1 UNK 0.0265 36 H17 -4.5507 2.1254 0.1229 H 1 UNK 0.0265 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 2 8 7 13 1 9 8 12 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 13 14 2 15 13 15 1 16 15 16 1 17 16 17 1 18 16 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 3 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 16 30 1 31 17 31 1 32 17 32 1 33 17 33 1 34 18 34 1 35 18 35 1 36 18 36 1