@MOLECULE FDBF04191 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 C1 4.2380 -3.8460 0.3390 C.ar 1 FRG1 0.0535 2 C2 2.8410 -3.8620 0.3150 C.ar 1 FRG1 0.0661 3 N3 2.4240 -5.1400 0.3700 N.ar 1 FRG1 -0.3403 4 C4 3.5140 -5.9220 0.4450 C.ar 1 FRG1 0.1281 5 N5 4.6070 -5.1400 0.4200 N.ar 1 FRG1 -0.2383 6 C1 -0.2330 -1.6720 0.1580 C.ar 1 FRG1 -0.0611 7 C2 0.5820 -2.8060 0.1930 C.ar 1 FRG1 -0.0526 8 C3 1.9710 -2.6650 0.2450 C.ar 1 FRG1 -0.0002 9 C4 2.5390 -1.3880 0.2330 C.ar 1 FRG1 -0.0526 10 C5 1.7210 -0.2560 0.2010 C.ar 1 FRG1 -0.0611 11 C6 0.3300 -0.3930 0.1780 C.ar 1 FRG1 -0.0617 12 C1 4.1300 -8.5400 -1.6050 C.3 1 FRG1 -0.0350 13 C2 4.7060 -8.0020 -0.2770 C.3 1 FRG1 -0.0258 14 C3 3.5230 -7.4460 0.5370 C.3 1 FRG1 0.0836 15 N5 2.3830 -8.0350 -0.1400 N.am 1 FRG1 -0.2940 16 C6 2.6070 -8.6790 -1.4180 C.3 1 FRG1 0.0152 17 C7 1.1480 -7.9800 0.4170 C.2 1 FRG1 0.2031 18 O8 0.9530 -7.4020 1.4750 O.2 1 FRG1 -0.2793 19 H 4.8555 -3.0199 0.3025 H 1 FRG1 0.0851 20 H 1.4886 -5.4469 0.3575 H 1 FRG1 0.1671 21 H -1.2586 -1.7795 0.1171 H 1 FRG1 0.0618 22 H 0.1585 -3.7470 0.1805 H 1 FRG1 0.0624 23 H 3.5653 -1.2811 0.2478 H 1 FRG1 0.0624 24 H 2.1451 0.6848 0.1943 H 1 FRG1 0.0618 25 H -0.2756 0.4426 0.1758 H 1 FRG1 0.0618 26 H 4.3408 -7.8555 -2.4000 H 1 FRG1 0.0281 27 H 4.5695 -9.4829 -1.8553 H 1 FRG1 0.0281 28 H 5.4147 -7.2246 -0.4725 H 1 FRG1 0.0288 29 H 5.2084 -8.7776 0.2623 H 1 FRG1 0.0288 30 H 3.5462 -7.6748 1.5820 H 1 FRG1 0.0581 31 H 2.3142 -9.7077 -1.3882 H 1 FRG1 0.0465 32 H 2.0401 -8.2473 -2.2162 H 1 FRG1 0.0465 33 H 0.3564 -8.4360 -0.0631 H 1 FRG1 0.1253 @BOND 1 12 16 1 2 12 13 1 3 16 15 1 4 13 14 1 5 15 17 am 6 15 14 1 7 6 11 ar 8 6 7 ar 9 11 10 ar 10 7 8 ar 11 10 9 ar 12 9 8 ar 13 8 2 1 14 2 1 ar 15 2 3 ar 16 1 5 ar 17 3 4 ar 18 17 18 2 19 5 4 ar 20 4 14 1 21 1 19 1 22 3 20 1 23 6 21 1 24 7 22 1 25 9 23 1 26 10 24 1 27 11 25 1 28 12 26 1 29 12 27 1 30 13 28 1 31 13 29 1 32 14 30 1 33 16 31 1 34 16 32 1 35 17 33 1