@MOLECULE FDBD00657 41 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C 18.1319 -8.4572 0.2707 C.ar 1 UNK 0.1087 2 S 19.5922 -7.4616 0.3609 S.O2 1 UNK 0.0735 3 C1 18.1815 -9.8084 0.6228 C.ar 1 UNK -0.0330 4 C2 16.9185 -7.8815 -0.1143 C.ar 1 UNK -0.0330 5 N 20.6831 -8.5170 -0.1480 N.pl3 1 UNK -0.1995 6 O 19.8548 -7.1514 1.7527 O.2 1 UNK -0.1499 7 O1 19.4891 -6.3923 -0.6133 O.2 1 UNK -0.1499 8 C3 17.0227 -10.5870 0.5720 C.ar 1 UNK -0.0327 9 C4 15.7604 -8.6612 -0.1647 C.ar 1 UNK -0.0327 10 C5 21.9926 -8.1955 -0.2436 C.ar 1 UNK 0.1377 11 C6 15.8100 -10.0160 0.1774 C.ar 1 UNK 0.0863 12 C7 22.4463 -6.9185 0.1007 C.ar 1 UNK -0.0204 13 N1 22.8632 -9.1303 -0.6790 N.ar 1 UNK -0.2390 14 N2 14.7008 -10.7793 0.1312 N.2 1 UNK -0.1493 15 C8 23.8060 -6.6211 -0.0101 C.ar 1 UNK -0.0570 16 C9 24.1816 -8.8661 -0.7942 C.ar 1 UNK 0.0297 17 N3 13.5355 -10.2206 -0.2501 N.2 1 UNK -0.1493 18 C10 24.6859 -7.6061 -0.4630 C.ar 1 UNK -0.0435 19 C11 12.4275 -10.9854 -0.2987 C.ar 1 UNK 0.0870 20 C12 12.4785 -12.3406 0.0398 C.ar 1 UNK -0.0222 21 C13 11.2137 -10.4176 -0.6919 C.ar 1 UNK -0.0311 22 C14 11.3293 -13.1350 -0.0106 C.ar 1 UNK 0.0408 23 C15 10.0613 -11.2051 -0.7444 C.ar 1 UNK -0.0175 24 C16 10.1157 -12.5596 -0.4055 C.ar 1 UNK 0.1258 25 C17 11.4381 -14.5965 0.3655 C.2 1 UNK 0.0752 26 O2 8.9573 -13.3261 -0.4645 O.3 1 UNK -0.5061 27 O3 12.5641 -15.0459 0.7113 O.co2 1 UNK -0.5445 28 O4 10.4142 -15.3303 0.3270 O.co2 1 UNK -0.5445 29 H 19.0745 -10.2314 0.9205 H 1 UNK 0.0638 30 H1 16.8777 -6.8804 -0.3614 H 1 UNK 0.0638 31 H2 20.3927 -9.4239 -0.3979 H 1 UNK 0.1752 32 H3 17.0624 -11.5863 0.8265 H 1 UNK 0.0640 33 H4 14.8660 -8.2361 -0.4552 H 1 UNK 0.0640 34 H5 21.7821 -6.2022 0.4337 H 1 UNK 0.0652 35 H6 24.1569 -5.6834 0.2401 H 1 UNK 0.0619 36 H7 24.8230 -9.6015 -1.1300 H 1 UNK 0.0830 37 H8 25.6944 -7.4062 -0.5518 H 1 UNK 0.0633 38 H9 13.3756 -12.7599 0.3305 H 1 UNK 0.0647 39 H10 11.1683 -9.4177 -0.9433 H 1 UNK 0.0640 40 H11 9.1649 -10.7843 -1.0350 H 1 UNK 0.0655 41 H12 8.9850 -14.2351 -0.2389 H 1 UNK 0.2922 @BOND 1 1 2 1 2 1 3 ar 3 1 4 ar 4 2 5 1 5 2 6 2 6 2 7 2 7 3 8 ar 8 4 9 ar 9 5 10 1 10 8 11 ar 11 9 11 ar 12 10 12 ar 13 10 13 ar 14 11 14 1 15 12 15 ar 16 13 16 ar 17 14 17 2 18 15 18 ar 19 16 18 ar 20 17 19 1 21 19 20 ar 22 19 21 ar 23 20 22 ar 24 21 23 ar 25 22 24 ar 26 22 25 1 27 23 24 ar 28 24 26 1 29 25 27 ar 30 25 28 ar 31 3 29 1 32 4 30 1 33 5 31 1 34 8 32 1 35 9 33 1 36 12 34 1 37 15 35 1 38 16 36 1 39 18 37 1 40 20 38 1 41 21 39 1 42 23 40 1 43 26 41 1