@MOLECULE FDBD03021 20 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0165 1.3678 0.0096 C.ar 1 UNK -0.0597 2 C1 1.1677 2.0900 0.0021 C.ar 1 UNK -0.0606 3 C2 2.3764 1.4298 -0.0130 C.ar 1 UNK -0.0459 4 C3 2.4142 0.0378 -0.0213 C.ar 1 UNK 0.0400 5 C4 1.2282 -0.7022 -0.0140 C.ar 1 UNK 0.0795 6 C5 0.0021 -0.0041 0.0020 C.ar 1 UNK -0.0352 7 N 1.4406 -2.0332 -0.0236 N.ar 1 UNK -0.2327 8 C6 2.6616 -2.4488 -0.0379 C.ar 1 UNK 0.1365 9 S 3.1479 -4.1422 -0.0532 S.3 1 UNK -0.0870 10 C7 4.9478 -3.9522 -0.0692 C.3 1 UNK 0.0602 11 S1 5.5172 -3.4600 1.5769 S.3 1 UNK -0.0354 12 C8 5.3595 -5.0383 2.4489 C.1 1 UNK 0.1337 13 N1 5.2606 -6.0288 2.9962 N.1 1 UNK -0.1837 14 S2 3.7715 -1.0855 -0.0410 S.2 1 UNK -0.0610 15 H -0.9197 1.8669 0.0210 H 1 UNK 0.0618 16 H1 1.1431 3.1217 0.0078 H 1 UNK 0.0618 17 H2 3.2567 1.9684 -0.0182 H 1 UNK 0.0629 18 H3 -0.8865 -0.5288 0.0080 H 1 UNK 0.0639 19 H4 5.2208 -3.2009 -0.7805 H 1 UNK 0.0503 20 H5 5.4022 -4.8821 -0.3405 H 1 UNK 0.0503 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 14 ar 6 4 5 ar 7 5 6 ar 8 5 7 ar 9 7 8 ar 10 8 9 1 11 8 14 ar 12 9 10 1 13 10 11 1 14 11 12 1 15 12 13 3 16 1 15 1 17 2 16 1 18 3 17 1 19 6 18 1 20 10 19 1 21 10 20 1