@MOLECULE FDBD02092 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6780 1.5469 -0.7105 C.3 1 UNK -0.0562 2 C1 -0.5239 0.0269 -0.6282 C.3 1 UNK -0.0091 3 S -2.1495 -0.7320 -0.3599 S.3 1 UNK -0.1602 4 C2 -1.7664 -2.5037 -0.2912 C.3 1 UNK 0.0032 5 C3 -3.0558 -3.2960 -0.0655 C.3 1 UNK 0.0137 6 S1 -2.6963 -5.0721 -0.1475 S.3 1 UNK -0.0403 7 P -1.7589 -5.4554 1.7150 P.3 1 UNK 0.3907 8 O -1.5234 -6.9094 1.8587 O.2 1 UNK -0.2458 9 O1 -0.3521 -4.6750 1.7784 O.3 1 UNK -0.3035 10 C4 0.7457 -4.9782 0.9152 C.3 1 UNK 0.0465 11 O2 -2.7100 -4.9451 2.9096 O.3 1 UNK -0.3035 12 C5 -3.9898 -5.5184 3.1845 C.3 1 UNK 0.0465 13 H 0.2809 1.9946 -0.8688 H 1 UNK 0.0238 14 H1 -1.0960 1.9130 0.2039 H 1 UNK 0.0238 15 H2 -1.3266 1.7961 -1.5242 H 1 UNK 0.0238 16 H3 0.1247 -0.2223 0.1855 H 1 UNK 0.0374 17 H4 -0.1059 -0.3392 -1.5426 H 1 UNK 0.0374 18 H5 -1.0872 -2.6908 0.5142 H 1 UNK 0.0384 19 H6 -1.3179 -2.8077 -1.2139 H 1 UNK 0.0384 20 H7 -3.7682 -3.0410 -0.8221 H 1 UNK 0.0390 21 H8 -3.4571 -3.0574 0.8973 H 1 UNK 0.0390 22 H9 1.5675 -4.3318 1.1428 H 1 UNK 0.0529 23 H10 0.4495 -4.8336 -0.1028 H 1 UNK 0.0529 24 H11 1.0421 -5.9962 1.0592 H 1 UNK 0.0529 25 H12 -4.4331 -5.0174 4.0196 H 1 UNK 0.0529 26 H13 -3.8737 -6.5574 3.4124 H 1 UNK 0.0529 27 H14 -4.6209 -5.4097 2.3273 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 7 11 1 10 9 10 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 10 22 1 22 10 23 1 23 10 24 1 24 12 25 1 25 12 26 1 26 12 27 1