@MOLECULE FDBF00886 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O1 0.1470 -1.1390 -1.4010 O.2 1 FRG1 -0.2703 2 C2 0.4430 -0.7390 -0.2790 C.2 1 FRG1 0.2451 3 N3 -0.4510 -0.6460 0.7860 N.am 1 FRG1 -0.3252 4 Br1 4.1330 3.1290 -0.1510 Br 1 FRG1 -0.0503 5 C2 3.5440 1.3420 0.0840 C.ar 1 FRG1 0.0188 6 C3 2.2250 0.9730 -0.1830 C.ar 1 FRG1 -0.0321 7 C4 1.8460 -0.3420 0.0040 C.ar 1 FRG1 0.0791 8 C5 2.7350 -1.3030 0.4470 C.ar 1 FRG1 0.1322 9 C6 4.0540 -0.9340 0.7140 C.ar 1 FRG1 -0.0182 10 C7 4.4580 0.3890 0.5320 C.ar 1 FRG1 -0.0443 11 O1 2.3620 -2.6010 0.6320 O.3 1 FRG1 -0.4944 12 C3 2.5010 -3.4790 -0.4830 C.3 1 FRG1 0.0788 13 H -1.3950 -0.8954 0.6595 H 1 FRG1 0.1453 14 H -0.1386 -0.3309 1.6649 H 1 FRG1 0.1453 15 H 1.5427 1.6723 -0.5153 H 1 FRG1 0.0637 16 H 4.7303 -1.6393 1.0459 H 1 FRG1 0.0655 17 H 5.4335 0.6623 0.7290 H 1 FRG1 0.0630 18 H 2.1760 -4.4603 -0.2069 H 1 FRG1 0.0660 19 H 3.5274 -3.5145 -0.7832 H 1 FRG1 0.0660 20 H 1.9039 -3.1210 -1.2955 H 1 FRG1 0.0660 @BOND 1 1 2 2 2 12 11 1 3 2 7 1 4 2 3 am 5 6 7 ar 6 6 5 ar 7 4 5 1 8 7 8 ar 9 5 10 ar 10 8 11 1 11 8 9 ar 12 10 9 ar 13 3 13 1 14 3 14 1 15 6 15 1 16 9 16 1 17 10 17 1 18 12 18 1 19 12 19 1 20 12 20 1