@MOLECULE ***** 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.7880 4.6150 0.7750 O.3 1 UNL1 -0.3938 2 C 7.9870 3.8240 -0.3990 C.3 1 UNL1 0.0567 3 C 7.1690 2.5360 -0.2900 C.3 1 UNL1 0.0192 4 N 5.7370 2.8640 -0.2810 N.3 1 UNL1 -0.3123 5 C 5.0130 1.5900 -0.1750 C.3 1 UNL1 0.0115 6 C 3.5070 1.8590 -0.1600 C.3 1 UNL1 0.0217 7 N 2.7850 0.5890 -0.0550 N.pl3 1 UNL1 -0.3421 8 C 1.3980 0.5800 -0.0230 C.ar 1 UNL1 0.0389 9 C 0.6870 1.7790 -0.1220 C.ar 1 UNL1 -0.0384 10 C -0.6870 1.7800 -0.0910 C.ar 1 UNL1 -0.0384 11 C 0.7070 -0.6280 0.1030 C.ar 1 UNL1 0.0558 12 C 1.4380 -1.9030 0.2160 C.2 1 UNL1 0.1999 13 O 2.6340 -1.9100 0.4400 O.2 1 UNL1 -0.2864 14 C 0.7030 -3.1700 0.0480 C.ar 1 UNL1 0.0780 15 C 1.3890 -4.3710 -0.1390 C.ar 1 UNL1 0.1286 16 O 2.7450 -4.3830 -0.1670 O.3 1 UNL1 -0.5060 17 C 0.6760 -5.5580 -0.2980 C.ar 1 UNL1 -0.0160 18 C -0.7010 -5.5560 -0.2710 C.ar 1 UNL1 -0.0160 19 C -1.4030 -4.3670 -0.0840 C.ar 1 UNL1 0.1286 20 O -2.7590 -4.3750 -0.0590 O.3 1 UNL1 -0.5060 21 C -0.7070 -3.1680 0.0770 C.ar 1 UNL1 0.0780 22 C -1.4320 -1.8990 0.2760 C.2 1 UNL1 0.1999 23 O -2.6170 -1.9040 0.5510 O.2 1 UNL1 -0.2864 24 C -0.7040 -0.6260 0.1390 C.ar 1 UNL1 0.0558 25 C -1.3960 0.5830 0.0390 C.ar 1 UNL1 0.0389 26 N -2.7830 0.5950 0.0690 N.pl3 1 UNL1 -0.3421 27 C -3.5040 1.8700 0.1100 C.3 1 UNL1 0.0217 28 C -5.0110 1.6040 0.1370 C.3 1 UNL1 0.0115 29 N -5.7330 2.8820 0.1780 N.3 1 UNL1 -0.3123 30 C -7.1650 2.5570 0.2020 C.3 1 UNL1 0.0192 31 C -7.9820 3.8500 0.2450 C.3 1 UNL1 0.0567 32 O -7.7800 4.5810 -0.9660 O.3 1 UNL1 -0.3938 33 H 8.3190 5.4160 0.6660 H 1 UNL1 0.2095 34 H 7.6640 4.3870 -1.2750 H 1 UNL1 0.0570 35 H 9.0440 3.5770 -0.4950 H 1 UNL1 0.0570 36 H 7.3890 1.8930 -1.1420 H 1 UNL1 0.0446 37 H 7.4290 2.0170 0.6330 H 1 UNL1 0.0446 38 H 5.5610 3.3690 0.5750 H 1 UNL1 0.1221 39 H 5.2610 0.9590 -1.0290 H 1 UNL1 0.0439 40 H 5.3010 1.0840 0.7460 H 1 UNL1 0.0439 41 H 3.2590 2.4900 0.6940 H 1 UNL1 0.0474 42 H 3.2190 2.3650 -1.0810 H 1 UNL1 0.0474 43 H 3.2760 -0.2460 -0.0070 H 1 UNL1 0.1461 44 H 1.2210 2.7120 -0.2240 H 1 UNL1 0.0637 45 H -1.2240 2.7150 -0.1680 H 1 UNL1 0.0637 46 H 3.0070 -4.2520 -1.0880 H 1 UNL1 0.2922 47 H 1.2080 -6.4860 -0.4430 H 1 UNL1 0.0655 48 H -1.2400 -6.4830 -0.3960 H 1 UNL1 0.0655 49 H -3.0570 -4.2430 -0.9700 H 1 UNL1 0.2922 50 H -3.2760 -0.2400 0.0630 H 1 UNL1 0.1461 51 H -3.2170 2.4220 1.0050 H 1 UNL1 0.0474 52 H -3.2550 2.4570 -0.7740 H 1 UNL1 0.0474 53 H -5.2980 1.0520 -0.7580 H 1 UNL1 0.0439 54 H -5.2600 1.0170 1.0210 H 1 UNL1 0.0439 55 H -5.5180 3.3090 1.0670 H 1 UNL1 0.1221 56 H -7.4250 1.9930 -0.6940 H 1 UNL1 0.0446 57 H -7.3870 1.9580 1.0850 H 1 UNL1 0.0446 58 H -9.0390 3.6090 0.3530 H 1 UNL1 0.0570 59 H -7.6590 4.4550 1.0930 H 1 UNL1 0.0570 60 H -8.3110 5.3870 -0.8980 H 1 UNL1 0.2095 @BOND 1 1 2 1 2 1 33 1 3 2 3 1 4 2 34 1 5 2 35 1 6 3 4 1 7 3 36 1 8 3 37 1 9 4 5 1 10 4 38 1 11 5 6 1 12 5 39 1 13 5 40 1 14 6 7 1 15 6 41 1 16 6 42 1 17 7 8 1 18 7 43 1 19 8 9 ar 20 8 11 ar 21 9 10 ar 22 9 44 1 23 10 25 ar 24 10 45 1 25 11 12 1 26 11 24 ar 27 12 13 2 28 12 14 1 29 14 15 ar 30 14 21 ar 31 15 16 1 32 15 17 ar 33 16 46 1 34 17 18 ar 35 17 47 1 36 18 19 ar 37 18 48 1 38 19 20 1 39 19 21 ar 40 20 49 1 41 21 22 1 42 22 23 2 43 22 24 1 44 24 25 ar 45 25 26 1 46 26 27 1 47 26 50 1 48 27 28 1 49 27 51 1 50 27 52 1 51 28 29 1 52 28 53 1 53 28 54 1 54 29 30 1 55 29 55 1 56 30 31 1 57 30 56 1 58 30 57 1 59 31 32 1 60 31 58 1 61 31 59 1 62 32 60 1