@MOLECULE MC 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.7360 0.0360 1.2980 C.ar 1 UNL1 0.1011 2 C -0.7500 -0.2410 2.7440 C.2 1 UNL1 0.2077 3 C 0.4990 -0.2160 3.5100 C.2 1 UNL1 0.0226 4 C 1.6760 0.0480 2.9010 C.2 1 UNL1 0.0792 5 C 1.7180 0.3260 1.4410 C.2 1 UNL1 0.2094 6 C 0.4640 0.3110 0.6620 C.ar 1 UNL1 0.0589 7 C 0.1660 0.5280 -0.6950 C.ar 1 UNL1 0.0246 8 C -1.1760 0.3850 -0.8460 C.ar 1 UNL1 0.0568 9 C 0.4710 -0.4950 4.9900 C.3 1 UNL1 -0.0341 10 N -1.7280 0.0830 0.3530 N.ar 1 UNL1 -0.3365 11 N 2.8420 0.0610 3.6370 N.pl3 1 UNL1 -0.3547 12 O -1.8010 -0.4880 3.3050 O.2 1 UNL1 -0.2853 13 O 2.7760 0.5630 0.8940 O.2 1 UNL1 -0.2852 14 C 1.1550 0.8590 -1.7840 C.3 1 UNL1 0.1215 15 O 1.6430 -0.3690 -2.3840 O.3 1 UNL1 -0.4457 16 C 2.5420 -0.3190 -3.3850 C.2 1 UNL1 0.3980 17 O 2.9450 0.7540 -3.7860 O.2 1 UNL1 -0.2267 18 N 2.9940 -1.4600 -3.9420 N.am 1 UNL1 -0.2950 19 C -2.2540 0.4520 -1.9100 C.3 1 UNL1 0.1121 20 C -3.5710 0.5690 -1.1100 C.3 1 UNL1 0.0549 21 C -3.1860 -0.0890 0.2300 C.3 1 UNL1 0.0417 22 N -4.6530 -0.1720 -1.7700 N.3 1 UNL1 -0.3234 23 O -2.2500 -0.7370 -2.7010 O.3 1 UNL1 -0.3841 24 H 1.0160 -1.4170 5.1960 H 1 UNL1 0.0279 25 H 0.9400 0.3300 5.5240 H 1 UNL1 0.0279 26 H -0.5610 -0.6020 5.3210 H 1 UNL1 0.0279 27 H 3.6750 0.3340 3.2210 H 1 UNL1 0.1424 28 H 2.8300 -0.2020 4.5700 H 1 UNL1 0.1424 29 H 0.6670 1.4670 -2.5460 H 1 UNL1 0.0750 30 H 1.9920 1.4120 -1.3580 H 1 UNL1 0.0750 31 H 3.6420 -1.4230 -4.6630 H 1 UNL1 0.1482 32 H 2.6720 -2.3170 -3.6220 H 1 UNL1 0.1482 33 H -2.1120 1.3300 -2.5410 H 1 UNL1 0.0674 34 H -3.8480 1.6130 -0.9660 H 1 UNL1 0.0505 35 H -3.6960 0.4100 1.0550 H 1 UNL1 0.0508 36 H -3.4410 -1.1490 0.2160 H 1 UNL1 0.0508 37 H -5.4760 -0.0540 -1.1980 H 1 UNL1 0.1186 38 H -4.8370 0.2970 -2.6430 H 1 UNL1 0.1186 39 H -2.9530 -0.6380 -3.3580 H 1 UNL1 0.2104 @BOND 1 1 2 1 2 1 6 ar 3 1 10 ar 4 2 3 1 5 2 12 2 6 3 4 2 7 3 9 1 8 4 5 1 9 4 11 1 10 5 6 1 11 5 13 2 12 6 7 ar 13 7 8 ar 14 7 14 1 15 8 10 ar 16 8 19 1 17 9 24 1 18 9 25 1 19 9 26 1 20 10 21 1 21 11 27 1 22 11 28 1 23 14 15 1 24 14 29 1 25 14 30 1 26 15 16 1 27 16 17 2 28 16 18 am 29 18 31 1 30 18 32 1 31 19 20 1 32 19 23 1 33 19 33 1 34 20 21 1 35 20 22 1 36 20 34 1 37 21 35 1 38 21 36 1 39 22 37 1 40 22 38 1 41 23 39 1