@MOLECULE ***** 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.9620 2.6540 8.6110 C.ar 1 UNL1 0.0939 2 N -2.1240 2.3590 9.9360 N.ar 1 UNL1 -0.2127 3 C -3.2860 1.8410 10.3700 C.ar 1 UNL1 0.2200 4 N -4.3380 1.5770 9.5940 N.ar 1 UNL1 -0.2226 5 C -4.2440 1.8460 8.2790 C.ar 1 UNL1 0.0333 6 C -3.0670 2.3950 7.7100 C.ar 1 UNL1 -0.0159 7 N -3.3340 1.5710 11.7890 N.pl3 1 UNL1 -0.2836 8 C -2.4220 1.0580 12.7930 C.ar 1 UNL1 0.0337 9 C -1.0560 0.7210 12.5240 C.ar 1 UNL1 -0.0386 10 C -0.2240 0.2210 13.5500 C.ar 1 UNL1 -0.0336 11 C -0.7580 0.0570 14.8470 C.ar 1 UNL1 0.1054 12 C -2.1020 0.3800 15.1480 C.ar 1 UNL1 -0.0336 13 C -2.9340 0.8810 14.1150 C.ar 1 UNL1 -0.0386 14 S 0.2600 -0.5620 16.1030 S.O2 1 UNL1 0.0585 15 N 1.8920 -0.0880 15.7390 N.3 1 UNL1 -0.1878 16 C 2.3790 0.9750 16.6430 C.3 1 UNL1 0.0408 17 C 3.8230 1.3550 16.3090 C.3 1 UNL1 0.0614 18 O 4.2680 2.3860 17.2120 O.3 1 UNL1 -0.3817 19 C 5.6290 2.8270 16.9930 C.3 1 UNL1 0.0365 20 C -0.7060 3.2040 8.1450 C.ar 1 UNL1 0.0875 21 N 0.6100 2.9650 8.6780 N.ar 1 UNL1 -0.3240 22 C 1.3460 3.7770 7.7680 C.ar 1 UNL1 0.1072 23 N 0.7030 4.4670 6.7770 N.ar 1 UNL1 -0.2402 24 C -0.5920 4.0950 7.0270 C.ar 1 UNL1 0.0552 25 C 1.0460 2.0790 9.8490 C.3 1 UNL1 0.0306 26 C 1.9490 0.9180 9.3870 C.3 1 UNL1 -0.0444 27 C 1.7380 2.9010 10.9690 C.3 1 UNL1 -0.0444 28 C 2.8790 3.9620 7.7860 C.3 1 UNL1 -0.0063 29 O -0.1720 0.0580 17.5070 O.2 1 UNL1 -0.1530 30 O 0.1820 -2.1510 16.1410 O.2 1 UNL1 -0.1530 31 H -2.9970 2.6100 6.6540 H 1 UNL1 0.0655 32 H -4.2270 1.7960 12.1790 H 1 UNL1 0.1550 33 H -5.0890 1.6380 7.6390 H 1 UNL1 0.0831 34 H -0.6590 0.8500 11.5280 H 1 UNL1 0.0637 35 H -3.9630 1.1310 14.3290 H 1 UNL1 0.0637 36 H 0.8060 -0.0320 13.3460 H 1 UNL1 0.0638 37 H -2.4880 0.2470 16.1480 H 1 UNL1 0.0638 38 H 2.4850 -0.8870 15.8380 H 1 UNL1 0.1481 39 H 1.7390 1.8630 16.5290 H 1 UNL1 0.0464 40 H 2.3430 0.6020 17.6770 H 1 UNL1 0.0464 41 H 4.4690 0.4710 16.4140 H 1 UNL1 0.0573 42 H 3.8750 1.7250 15.2740 H 1 UNL1 0.0573 43 H 5.8100 2.9390 15.9140 H 1 UNL1 0.0523 44 H 5.7860 3.7940 17.4930 H 1 UNL1 0.0523 45 H 6.3260 2.0830 17.4060 H 1 UNL1 0.0523 46 H -1.4360 4.4360 6.4450 H 1 UNL1 0.0852 47 H 0.1280 1.6430 10.2700 H 1 UNL1 0.0523 48 H 3.2560 4.0060 6.7530 H 1 UNL1 0.0307 49 H 3.1290 4.8980 8.3070 H 1 UNL1 0.0307 50 H 3.3440 3.1140 8.3100 H 1 UNL1 0.0307 51 H 2.1640 1.0250 8.3140 H 1 UNL1 0.0249 52 H 2.8920 0.9390 9.9530 H 1 UNL1 0.0249 53 H 1.4360 -0.0380 9.5640 H 1 UNL1 0.0249 54 H 1.9020 2.2600 11.8470 H 1 UNL1 0.0249 55 H 2.7050 3.2760 10.6040 H 1 UNL1 0.0249 56 H 1.0970 3.7500 11.2500 H 1 UNL1 0.0249 @BOND 1 1 2 ar 2 1 6 ar 3 1 20 1 4 2 3 ar 5 3 4 ar 6 3 7 1 7 4 5 ar 8 5 6 ar 9 7 8 1 10 8 9 ar 11 8 13 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 14 1 16 12 13 ar 17 14 15 1 18 14 29 2 19 14 30 2 20 15 16 1 21 16 17 1 22 17 18 1 23 18 19 1 24 20 21 ar 25 20 24 ar 26 21 22 ar 27 21 25 1 28 22 23 ar 29 22 28 1 30 23 24 ar 31 25 26 1 32 25 27 1 33 6 31 1 34 7 32 1 35 5 33 1 36 9 34 1 37 13 35 1 38 10 36 1 39 12 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 17 42 1 45 19 43 1 46 19 44 1 47 19 45 1 48 24 46 1 49 25 47 1 50 28 48 1 51 28 49 1 52 28 50 1 53 26 51 1 54 26 52 1 55 26 53 1 56 27 54 1 57 27 55 1 58 27 56 1