@MOLECULE FDBF00505 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 C1 8.4650 -7.1030 0.4870 C.ar 1 FRG1 -0.0219 2 C2 8.9980 -6.8720 1.7580 C.ar 1 FRG1 -0.0564 3 C3 10.3320 -6.4810 1.8950 C.ar 1 FRG1 -0.0614 4 C4 11.1330 -6.3220 0.7610 C.ar 1 FRG1 -0.0617 5 C5 10.6010 -6.5550 -0.5100 C.ar 1 FRG1 -0.0614 6 C6 9.2670 -6.9460 -0.6470 C.ar 1 FRG1 -0.0564 7 O1 6.2940 -6.7070 -0.5980 O.3 1 FRG1 -0.3716 8 C1 7.0050 -7.5220 0.3450 C.3 1 FRG1 0.0731 9 C1 3.7850 -4.8910 -1.0750 C.3 1 FRG1 -0.0183 10 C2 5.2970 -4.5820 -1.1790 C.3 1 FRG1 0.0168 11 C3 6.1150 -5.3620 -0.1250 C.3 1 FRG1 0.0693 12 C4 5.4040 -5.3510 1.2500 C.3 1 FRG1 0.0168 13 C5 3.8820 -5.5850 1.1100 C.3 1 FRG1 -0.0183 14 N6 3.2990 -4.5300 0.2660 N.4 1 FRG1 0.2375 15 C7 3.6330 -3.1580 0.6860 C.3 1 FRG1 -0.0426 16 C8 3.6150 -6.8790 0.3170 C.3 1 FRG1 -0.0045 17 C9 3.5470 -6.4120 -1.1520 C.3 1 FRG1 -0.0045 18 H 8.4062 -6.9902 2.5952 H 1 FRG1 0.0621 19 H 10.7259 -6.3096 2.8333 H 1 FRG1 0.0618 20 H 12.1183 -6.0322 0.8623 H 1 FRG1 0.0618 21 H 11.1933 -6.4383 -1.3470 H 1 FRG1 0.0618 22 H 8.8736 -7.1189 -1.5853 H 1 FRG1 0.0621 23 H 6.9694 -8.5396 0.0160 H 1 FRG1 0.0610 24 H 6.5360 -7.4033 1.2994 H 1 FRG1 0.0610 25 H 3.2969 -4.3545 -1.8617 H 1 FRG1 0.0852 26 H 5.4476 -3.5335 -1.0280 H 1 FRG1 0.0345 27 H 5.6323 -4.8823 -2.1497 H 1 FRG1 0.0345 28 H 7.0677 -4.8942 0.0105 H 1 FRG1 0.0600 29 H 5.5672 -4.4022 1.7170 H 1 FRG1 0.0345 30 H 5.8101 -6.1450 1.8413 H 1 FRG1 0.0345 31 H 3.4713 -5.6133 2.0976 H 1 FRG1 0.0852 32 H 2.2811 -4.4969 0.3223 H 1 FRG1 0.2036 33 H 4.6954 -3.0313 0.6783 H 1 FRG1 0.0778 34 H 3.2605 -2.9869 1.6744 H 1 FRG1 0.0778 35 H 3.1856 -2.4593 0.0103 H 1 FRG1 0.0778 36 H 4.4106 -7.5809 0.4561 H 1 FRG1 0.0322 37 H 2.7217 -7.3769 0.6317 H 1 FRG1 0.0322 38 H 4.3073 -6.8862 -1.7368 H 1 FRG1 0.0322 39 H 2.6161 -6.6587 -1.6184 H 1 FRG1 0.0322 @BOND 1 10 9 1 2 10 11 1 3 17 9 1 4 17 16 1 5 9 14 1 6 6 5 ar 7 6 1 ar 8 7 11 1 9 7 8 1 10 5 4 ar 11 11 12 1 12 14 15 1 13 14 13 1 14 16 13 1 15 8 1 1 16 1 2 ar 17 4 3 ar 18 13 12 1 19 2 3 ar 20 2 18 1 21 3 19 1 22 4 20 1 23 5 21 1 24 6 22 1 25 8 23 1 26 8 24 1 27 9 25 1 28 10 26 1 29 10 27 1 30 11 28 1 31 12 29 1 32 12 30 1 33 13 31 1 34 14 32 1 35 15 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 16 37 1 40 17 38 1 41 17 39 1