@MOLECULE FDBF00889 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -1.8310 -1.0160 0.6760 C.3 1 FRG1 0.0004 2 O1 0.1470 -1.1390 -1.4010 O.2 1 FRG1 -0.2701 3 C2 0.4430 -0.7390 -0.2790 C.2 1 FRG1 0.2474 4 N3 -0.4510 -0.6460 0.7860 N.am 1 FRG1 -0.3143 5 Br1 4.1330 3.1290 -0.1510 Br 1 FRG1 -0.0465 6 C2 3.5440 1.3420 0.0840 C.ar 1 FRG1 0.0602 7 C3 2.2250 0.9730 -0.1830 C.ar 1 FRG1 0.1461 8 C4 1.8460 -0.3420 0.0040 C.ar 1 FRG1 0.0793 9 C5 2.7350 -1.3030 0.4470 C.ar 1 FRG1 -0.0460 10 C6 4.0540 -0.9340 0.7140 C.ar 1 FRG1 -0.0598 11 C7 4.4580 0.3890 0.5320 C.ar 1 FRG1 -0.0442 12 O1 1.3230 1.8990 -0.6220 O.3 1 FRG1 -0.4932 13 C3 1.2120 2.0740 -2.0320 C.3 1 FRG1 0.0789 14 H -2.3181 -0.8600 1.6159 H 1 FRG1 0.0426 15 H -1.9029 -2.0484 0.4040 H 1 FRG1 0.0426 16 H -2.3025 -0.4159 -0.0740 H 1 FRG1 0.0426 17 H -0.1203 -0.3118 1.6510 H 1 FRG1 0.1487 18 H 2.4278 -2.2794 0.5784 H 1 FRG1 0.0626 19 H 4.7303 -1.6393 1.0459 H 1 FRG1 0.0618 20 H 5.4335 0.6623 0.7290 H 1 FRG1 0.0630 21 H 0.4765 2.8223 -2.2417 H 1 FRG1 0.0660 22 H 0.9192 1.1495 -2.4842 H 1 FRG1 0.0660 23 H 2.1570 2.3815 -2.4287 H 1 FRG1 0.0660 @BOND 1 13 12 1 2 2 3 2 3 12 7 1 4 3 8 1 5 3 4 am 6 7 8 ar 7 7 6 ar 8 5 6 1 9 8 9 ar 10 6 11 ar 11 9 10 ar 12 11 10 ar 13 1 4 1 14 1 14 1 15 1 15 1 16 1 16 1 17 4 17 1 18 9 18 1 19 10 19 1 20 11 20 1 21 13 21 1 22 13 22 1 23 13 23 1