@MOLECULE FDBD02023 24 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0179 1.4652 0.0101 C.3 1 UNK 0.1331 2 C1 1.4727 1.8587 -0.0020 C.3 1 UNK 0.0949 3 N 2.1652 0.5593 -0.0156 N.pl3 1 UNK -0.2155 4 C2 3.6167 0.3616 -0.0298 C.3 1 UNK 0.0936 5 C3 4.1272 0.2857 1.3861 C.ar 1 UNK 0.0422 6 C4 4.2524 -0.8248 2.1175 C.ar 1 UNK 0.0425 7 N1 4.7244 -0.6291 3.3331 N.ar 1 UNK -0.2357 8 C5 5.0040 0.5868 3.6663 C.ar 1 UNK 0.1674 9 Cl 5.6344 1.0747 5.2085 Cl 1 UNK -0.0543 10 S 4.6712 1.6455 2.3656 S.2 1 UNK -0.0578 11 C6 1.2224 -0.4317 -0.0119 C.cat 1 UNK 0.3938 12 N2 0.0021 -0.0041 0.0020 N.2 1 UNK -0.1124 13 N3 1.5446 -1.7682 -0.0222 N.pl3 1 UNK -0.0685 14 N4 0.5294 -2.7336 -0.0177 N.pl3 1 UNK 0.1758 15 O -0.6388 -2.3888 -0.0047 O.2 1 UNK -0.0960 16 O1 0.8148 -3.9176 -0.0268 O.2 1 UNK -0.0960 17 H -0.5015 1.8341 0.8904 H 1 UNK 0.0723 18 H1 -0.5585 1.8742 -0.8178 H 1 UNK 0.0723 19 H2 1.7281 2.4202 0.8723 H 1 UNK 0.0667 20 H3 1.7348 2.4819 -0.8313 H 1 UNK 0.0667 21 H4 4.0835 1.1820 -0.5337 H 1 UNK 0.0691 22 H5 3.8476 -0.5493 -0.5415 H 1 UNK 0.0691 23 H6 4.0003 -1.7597 1.7604 H 1 UNK 0.0839 24 H7 2.4888 -2.0468 -0.0327 H 1 UNK 0.2826 @BOND 1 1 12 1 2 1 2 1 3 2 3 1 4 3 4 1 5 3 11 1 6 4 5 1 7 5 10 ar 8 5 6 ar 9 6 7 ar 10 7 8 ar 11 8 9 1 12 8 10 ar 13 11 12 2 14 11 13 1 15 13 14 1 16 14 15 2 17 14 16 2 18 1 17 1 19 1 18 1 20 2 19 1 21 2 20 1 22 4 21 1 23 4 22 1 24 6 23 1 25 13 24 1