@MOLECULE FDBF01459 16 16 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -1.1210 -0.6960 0.0150 C.3 1 FRG1 0.0087 2 C1 -1.6530 -2.1070 -0.2950 C.3 1 FRG1 0.0329 3 S1 -2.0310 0.4840 -1.0520 S.3 1 FRG1 -0.1765 4 N1 -3.0910 -2.2470 -0.0680 N.ar 1 FRG1 -0.3361 5 C2 -3.7670 -1.7910 1.0130 C.ar 1 FRG1 0.0240 6 C3 -5.0710 -2.1560 0.7730 C.ar 1 FRG1 0.0454 7 N4 -5.1880 -2.8190 -0.4230 N.ar 1 FRG1 -0.2441 8 C5 -3.9660 -2.8550 -0.9060 C.ar 1 FRG1 0.0959 9 H -1.2886 -0.4608 1.0453 H 1 FRG1 0.0391 10 H -0.0693 -0.6403 -0.1738 H 1 FRG1 0.0391 11 H -1.4482 -2.3290 -1.3215 H 1 FRG1 0.0500 12 H -1.1601 -2.7844 0.3707 H 1 FRG1 0.0500 13 H -3.3632 0.3944 -0.7936 H 1 FRG1 0.1017 14 H -3.3900 -1.2854 1.8299 H 1 FRG1 0.0825 15 H -5.8589 -1.9573 1.4093 H 1 FRG1 0.0845 16 H -3.7067 -3.2893 -1.8055 H 1 FRG1 0.1029 @BOND 1 3 1 1 2 8 7 ar 3 8 4 ar 4 7 6 ar 5 2 4 1 6 2 1 1 7 4 5 ar 8 6 5 ar 9 1 9 1 10 1 10 1 11 2 11 1 12 2 12 1 13 3 13 1 14 5 14 1 15 6 15 1 16 8 16 1