@MOLECULE FDBD02103 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6115 1.3271 0.1797 C.3 1 UNK -0.0539 2 C1 -0.6490 -0.1869 0.3966 C.3 1 UNK 0.0206 3 S 0.6051 -0.6536 1.6213 S.O 1 UNK 0.0229 4 O 0.2895 -0.0588 2.8726 O.2 1 UNK -0.2572 5 C2 0.4092 -2.4530 1.7406 C.3 1 UNK 0.0355 6 C3 1.4136 -3.0095 2.7518 C.3 1 UNK 0.0247 7 C4 1.2484 -4.5272 2.8525 C.3 1 UNK -0.0519 8 S1 3.0993 -2.6196 2.2068 S.3 1 UNK -0.0371 9 P 4.2689 -3.0660 3.9177 P.3 1 UNK 0.3910 10 O1 5.6749 -2.6764 3.6695 O.2 1 UNK -0.2458 11 O2 3.7012 -2.2494 5.1839 O.3 1 UNK -0.3035 12 C5 3.7180 -0.8226 5.2608 C.3 1 UNK 0.0465 13 O3 4.1951 -4.6455 4.2209 O.3 1 UNK -0.3035 14 C6 4.7214 -5.6338 3.3331 C.3 1 UNK 0.0465 15 H -1.3513 1.6023 -0.5427 H 1 UNK 0.0238 16 H1 0.3568 1.6128 -0.1748 H 1 UNK 0.0238 17 H2 -0.8138 1.8251 1.1049 H 1 UNK 0.0238 18 H3 -0.4467 -0.6849 -0.5286 H 1 UNK 0.0398 19 H4 -1.6173 -0.4725 0.7511 H 1 UNK 0.0398 20 H5 0.5856 -2.8953 0.7824 H 1 UNK 0.0412 21 H6 -0.5851 -2.6830 2.0620 H 1 UNK 0.0412 22 H7 1.2372 -2.5672 3.7100 H 1 UNK 0.0424 23 H8 1.4248 -4.9695 1.8943 H 1 UNK 0.0241 24 H9 0.2541 -4.7572 3.1739 H 1 UNK 0.0241 25 H10 1.9508 -4.9163 3.5597 H 1 UNK 0.0241 26 H11 3.2904 -0.5105 6.1907 H 1 UNK 0.0529 27 H12 3.1486 -0.4151 4.4517 H 1 UNK 0.0529 28 H13 4.7276 -0.4739 5.1976 H 1 UNK 0.0529 29 H14 4.5563 -6.6074 3.7450 H 1 UNK 0.0529 30 H15 5.7716 -5.4744 3.2042 H 1 UNK 0.0529 31 H16 4.2304 -5.5596 2.3853 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 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 9 13 1 12 11 12 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 7 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 14 29 1 29 14 30 1 30 14 31 1