@MOLECULE FDBF05021 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 C1 4.3840 0.6080 3.0350 C.2 1 FRG1 0.2570 2 N2 4.6420 -0.3820 3.8680 N.am 1 FRG1 -0.2357 3 C3 5.7620 -1.1090 3.7200 C.2 1 FRG1 0.3104 4 O4 6.7080 -0.9270 4.4640 O.2 1 FRG1 -0.2521 5 N5 5.8380 -2.0410 2.7490 N.am 1 FRG1 -0.2691 6 O7 5.2950 0.9640 2.1070 O.2 1 FRG1 -0.2695 7 C1 0.6830 2.6750 3.2740 C.ar 1 FRG1 -0.0563 8 C2 0.7970 1.5630 2.4600 C.ar 1 FRG1 -0.0255 9 C3 1.9980 0.8830 2.3760 C.ar 1 FRG1 0.1383 10 C4 3.1010 1.3250 3.1180 C.ar 1 FRG1 0.1073 11 C5 2.9750 2.4530 3.9390 C.ar 1 FRG1 0.1383 12 C6 1.7670 3.1190 4.0110 C.ar 1 FRG1 -0.0255 13 F8 4.0320 2.8880 4.6590 F 1 FRG1 -0.2046 14 F9 2.1070 -0.2030 1.5800 F 1 FRG1 -0.2046 15 C1 6.9560 -2.8770 2.6680 C.ar 1 FRG1 0.0348 16 C2 7.6180 -3.2680 3.8240 C.ar 1 FRG1 -0.0404 17 C3 8.7190 -4.0980 3.7410 C.ar 1 FRG1 -0.0600 18 C4 9.1690 -4.5300 2.5070 C.ar 1 FRG1 -0.0616 19 C5 8.5150 -4.1370 1.3530 C.ar 1 FRG1 -0.0600 20 C6 7.4100 -3.3120 1.4300 C.ar 1 FRG1 -0.0404 21 H 4.0141 -0.5879 4.5977 H 1 FRG1 0.1594 22 H 5.1063 -2.1331 2.0968 H 1 FRG1 0.1564 23 H -0.2166 3.1773 3.3323 H 1 FRG1 0.0619 24 H -0.0166 1.2397 1.9136 H 1 FRG1 0.0646 25 H 1.6726 3.9498 4.6159 H 1 FRG1 0.0646 26 H 7.2878 -2.9388 4.7446 H 1 FRG1 0.0636 27 H 9.2061 -4.3959 4.6007 H 1 FRG1 0.0618 28 H 9.9942 -5.1467 2.4467 H 1 FRG1 0.0618 29 H 8.8533 -4.4607 0.4333 H 1 FRG1 0.0618 30 H 6.9225 -3.0193 0.5688 H 1 FRG1 0.0636 @BOND 1 19 20 ar 2 19 18 ar 3 20 15 ar 4 14 9 1 5 6 1 2 6 9 8 ar 7 9 10 ar 8 8 7 ar 9 18 17 ar 10 15 5 1 11 15 16 ar 12 5 3 am 13 1 10 1 14 1 2 am 15 10 11 ar 16 7 12 ar 17 3 2 am 18 3 4 2 19 17 16 ar 20 11 12 ar 21 11 13 1 22 2 21 1 23 5 22 1 24 7 23 1 25 8 24 1 26 12 25 1 27 16 26 1 28 17 27 1 29 18 28 1 30 19 29 1 31 20 30 1