@MOLECULE FDBD01900 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.1504 2.2108 0.0885 C.3 1 UNK -0.0562 2 C1 0.8542 0.7113 0.1580 C.3 1 UNK -0.0088 3 S 1.4110 -0.0865 -1.3731 S.3 1 UNK -0.1562 4 C2 0.9815 -1.8285 -1.1050 C.3 1 UNK 0.0223 5 C3 1.3877 -2.6372 -2.3099 C.ar 1 UNK 0.0048 6 C4 0.5013 -2.8139 -3.3549 C.ar 1 UNK -0.0543 7 C5 0.8732 -3.5561 -4.4603 C.ar 1 UNK -0.0613 8 C6 2.1328 -4.1234 -4.5232 C.ar 1 UNK -0.0583 9 C7 3.0225 -3.9497 -3.4811 C.ar 1 UNK -0.0189 10 C8 2.6538 -3.2001 -2.3733 C.ar 1 UNK 0.1372 11 O 3.5277 -3.0276 -1.3465 O.3 1 UNK -0.4113 12 C9 3.4308 -3.8832 -0.3109 C.2 1 UNK 0.4054 13 O1 2.6539 -4.8160 -0.3641 O.2 1 UNK -0.2260 14 N 4.1955 -3.7048 0.7845 N.am 1 UNK -0.2839 15 C10 4.0901 -4.6354 1.9109 C.3 1 UNK 0.0032 16 H 2.2228 2.3641 -0.0319 H 1 UNK 0.0238 17 H1 0.6235 2.6463 -0.7605 H 1 UNK 0.0238 18 H2 0.8159 2.6902 1.0085 H 1 UNK 0.0238 19 H3 1.3811 0.2758 1.0070 H 1 UNK 0.0374 20 H4 -0.2182 0.5580 0.2784 H 1 UNK 0.0374 21 H5 1.5052 -2.2004 -0.2243 H 1 UNK 0.0426 22 H6 -0.0941 -1.9182 -0.9529 H 1 UNK 0.0426 23 H7 -0.4831 -2.3721 -3.3080 H 1 UNK 0.0622 24 H8 0.1788 -3.6934 -5.2760 H 1 UNK 0.0618 25 H9 2.4209 -4.7031 -5.3877 H 1 UNK 0.0619 26 H10 4.0059 -4.3936 -3.5304 H 1 UNK 0.0654 27 H11 4.8157 -2.9601 0.8269 H 1 UNK 0.1517 28 H12 3.0708 -4.6248 2.2968 H 1 UNK 0.0427 29 H13 4.3412 -5.6417 1.5756 H 1 UNK 0.0427 30 H14 4.7800 -4.3323 2.6985 H 1 UNK 0.0427 @BOND 1 1 2 1 2 1 16 1 3 1 17 1 4 1 18 1 5 2 3 1 6 2 19 1 7 2 20 1 8 3 4 1 9 4 5 1 10 4 21 1 11 4 22 1 12 5 10 ar 13 5 6 ar 14 6 7 ar 15 6 23 1 16 7 8 ar 17 7 24 1 18 8 9 ar 19 8 25 1 20 9 10 ar 21 9 26 1 22 10 11 1 23 11 12 1 24 12 13 2 25 12 14 am 26 14 15 1 27 14 27 1 28 15 28 1 29 15 29 1 30 15 30 1