@MOLECULE FDBD03255 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.2863 -2.4586 2.2615 C.3 1 UNK -0.0175 2 C1 0.5919 -1.8697 1.0606 C.2 1 UNK 0.1011 3 C2 -0.0627 -0.7214 1.1701 C.2 1 UNK -0.0288 4 C3 -0.2488 -0.1009 2.4979 C.ar 1 UNK -0.0231 5 C4 -0.2640 1.2896 2.6242 C.ar 1 UNK -0.0535 6 C5 -0.4381 1.8654 3.8638 C.ar 1 UNK -0.0468 7 C6 -0.5983 1.0632 4.9884 C.ar 1 UNK 0.0225 8 C7 -0.5836 -0.3219 4.8657 C.ar 1 UNK -0.0468 9 C8 -0.4155 -0.9036 3.6280 C.ar 1 UNK -0.0535 10 S -0.8196 1.8034 6.5720 S.3 1 UNK -0.0104 11 C9 -0.9670 0.3178 7.5954 C.1 1 UNK 0.1380 12 N -1.0595 -0.6146 8.2377 N.1 1 UNK -0.1834 13 N1 0.6405 -2.5729 -0.2413 N.pl3 1 UNK 0.0521 14 O 0.0793 -2.0969 -1.2119 O.2 1 UNK -0.1265 15 O1 1.2416 -3.6274 -0.3418 O.2 1 UNK -0.1265 16 H 1.1440 -1.8171 3.1059 H 1 UNK 0.0294 17 H1 2.3324 -2.5533 2.0577 H 1 UNK 0.0294 18 H2 0.8755 -3.4236 2.4734 H 1 UNK 0.0294 19 H3 -0.4420 -0.2613 0.3278 H 1 UNK 0.0643 20 H4 -0.1450 1.8854 1.7900 H 1 UNK 0.0624 21 H5 -0.4496 2.8930 3.9578 H 1 UNK 0.0629 22 H6 -0.6987 -0.9148 5.7025 H 1 UNK 0.0629 23 H7 -0.4128 -1.9315 3.5364 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 3 2 3 2 13 1 4 3 4 1 5 4 9 ar 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 7 10 1 11 8 9 ar 12 10 11 1 13 11 12 3 14 13 14 2 15 13 15 2 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 5 20 1 21 6 21 1 22 8 22 1 23 9 23 1