@MOLECULE ***** 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.3980 2.5270 -0.2550 C.2 1 UNL1 0.2341 2 C 8.6520 0.3880 -0.9220 C.ar 1 UNL1 -0.0165 3 C -2.4640 1.4450 0.2220 C.3 1 UNL1 0.0997 4 C -1.0420 1.7550 -0.2500 C.3 1 UNL1 -0.0259 5 C 6.0740 -0.1800 -0.0620 C.ar 1 UNL1 0.0817 6 C -0.0740 0.7250 0.3370 C.3 1 UNL1 -0.0495 7 C 1.3480 1.0350 -0.1350 C.3 1 UNL1 -0.0373 8 C 2.3160 0.0060 0.4520 C.3 1 UNL1 0.0119 9 C 4.7030 -0.4780 0.3940 C.2 1 UNL1 0.2477 10 C 6.3120 0.9050 -0.9120 C.ar 1 UNL1 -0.0459 11 C 7.5940 1.1830 -1.3310 C.ar 1 UNL1 -0.0574 12 N -3.1960 3.8060 0.1210 N.am 1 UNL1 -0.3029 13 N 3.6770 0.3020 -0.0010 N.am 1 UNL1 -0.3112 14 C -4.1010 4.8590 -0.3470 C.3 1 UNL1 0.0733 15 N -2.8910 0.1550 -0.3260 N.am 1 UNL1 -0.2999 16 C -3.3250 7.1900 0.6350 C.1 1 UNL1 -0.1176 17 C -3.6690 6.1560 0.1990 C.1 1 UNL1 -0.0866 18 O -4.3290 2.2490 -0.9800 O.2 1 UNL1 -0.2738 19 O 4.4980 -1.4280 1.1250 O.2 1 UNL1 -0.2701 20 C 8.4320 -0.6970 -0.0900 C.ar 1 UNL1 0.1590 21 O 9.4740 -1.4770 0.3010 O.3 1 UNL1 -0.5033 22 C 7.1420 -0.9880 0.3460 C.ar 1 UNL1 0.1705 23 O 6.9230 -2.0430 1.1710 O.3 1 UNL1 -0.5028 24 C -3.8390 -0.5640 0.3060 C.2 1 UNL1 0.2483 25 O -4.3400 -0.1430 1.3300 O.2 1 UNL1 -0.2701 26 C -4.2690 -1.8630 -0.2460 C.ar 1 UNL1 0.0817 27 C -3.6950 -2.3510 -1.4240 C.ar 1 UNL1 -0.0459 28 C -4.0980 -3.5650 -1.9360 C.ar 1 UNL1 -0.0574 29 C -5.0720 -4.3080 -1.2890 C.ar 1 UNL1 -0.0165 30 C -5.6500 -3.8380 -0.1220 C.ar 1 UNL1 0.1590 31 O -6.6060 -4.5740 0.5070 O.3 1 UNL1 -0.5033 32 C -5.2500 -2.6170 0.4100 C.ar 1 UNL1 0.1705 33 O -5.8130 -2.1540 1.5550 O.3 1 UNL1 -0.5028 34 H 9.6540 0.6110 -1.2590 H 1 UNL1 0.0655 35 H -2.4840 1.4020 1.3110 H 1 UNL1 0.0594 36 H -1.0030 1.7110 -1.3390 H 1 UNL1 0.0288 37 H -0.7570 2.7530 0.0830 H 1 UNL1 0.0288 38 H -0.1130 0.7700 1.4250 H 1 UNL1 0.0266 39 H -0.3590 -0.2720 0.0030 H 1 UNL1 0.0266 40 H 1.3870 0.9910 -1.2240 H 1 UNL1 0.0280 41 H 1.6320 2.0330 0.1980 H 1 UNL1 0.0280 42 H 2.2770 0.0500 1.5400 H 1 UNL1 0.0462 43 H 2.0310 -0.9920 0.1180 H 1 UNL1 0.0462 44 H 5.4900 1.5260 -1.2370 H 1 UNL1 0.0626 45 H 7.7760 2.0270 -1.9800 H 1 UNL1 0.0619 46 H -2.4520 4.0290 0.7020 H 1 UNL1 0.1497 47 H 3.8400 1.0590 -0.5840 H 1 UNL1 0.1490 48 H -4.0800 4.8980 -1.4360 H 1 UNL1 0.0599 49 H -5.1150 4.6420 -0.0110 H 1 UNL1 0.0599 50 H -2.4910 -0.1810 -1.1430 H 1 UNL1 0.1498 51 H -3.0160 8.1150 1.0250 H 1 UNL1 0.1228 52 H 9.8980 -1.1850 1.1210 H 1 UNL1 0.2923 53 H 6.7330 -2.8710 0.7090 H 1 UNL1 0.2923 54 H -2.9350 -1.7760 -1.9320 H 1 UNL1 0.0626 55 H -3.6530 -3.9380 -2.8460 H 1 UNL1 0.0619 56 H -5.3830 -5.2580 -1.6980 H 1 UNL1 0.0655 57 H -6.2570 -5.1940 1.1620 H 1 UNL1 0.2923 58 H -5.3540 -2.4300 2.3590 H 1 UNL1 0.2923 @BOND 1 11 10 ar 2 11 2 ar 3 10 5 ar 4 19 9 2 5 2 20 ar 6 5 9 1 7 5 22 ar 8 9 13 am 9 8 13 1 10 8 7 1 11 20 22 ar 12 20 21 1 13 22 23 1 14 4 6 1 15 4 3 1 16 7 6 1 17 3 15 1 18 3 1 1 19 15 24 am 20 33 32 1 21 31 30 1 22 32 30 ar 23 32 26 ar 24 24 26 1 25 24 25 2 26 30 29 ar 27 26 27 ar 28 29 28 ar 29 27 28 ar 30 1 18 2 31 1 12 am 32 12 14 1 33 16 17 3 34 14 17 1 35 2 34 1 36 3 35 1 37 4 36 1 38 4 37 1 39 6 38 1 40 6 39 1 41 7 40 1 42 7 41 1 43 8 42 1 44 8 43 1 45 10 44 1 46 11 45 1 47 12 46 1 48 13 47 1 49 14 48 1 50 14 49 1 51 15 50 1 52 16 51 1 53 21 52 1 54 23 53 1 55 27 54 1 56 28 55 1 57 29 56 1 58 31 57 1 59 33 58 1