@MOLECULE ***** 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.4140 0.3900 -0.0010 C.ar 1 UNL1 -0.0267 2 C -3.9320 -0.9060 0.0410 C.ar 1 UNL1 0.0552 3 C -3.1850 -1.9320 0.6230 C.ar 1 UNL1 -0.0438 4 C -1.9400 -1.6590 1.1530 C.ar 1 UNL1 -0.0569 5 C -1.4330 -0.3730 1.1090 C.ar 1 UNL1 -0.0383 6 C -2.1680 0.6480 0.5330 C.ar 1 UNL1 -0.0534 7 C -5.2240 -1.1820 -0.5110 C.1 1 UNL1 0.0994 8 C -4.2100 1.5020 -0.6320 C.3 1 UNL1 -0.0146 9 C -3.5110 2.8490 -0.8280 C.3 1 UNL1 -0.0456 10 C -4.5840 2.6940 0.2520 C.3 1 UNL1 -0.0456 11 C -0.0730 -0.0830 1.6900 C.3 1 UNL1 0.0491 12 C 0.9780 -0.2650 0.6260 C.2 1 UNL1 0.2182 13 C 3.2990 -0.2360 -0.1160 C.3 1 UNL1 0.1314 14 C 4.4420 2.4610 -0.1710 C.3 1 UNL1 -0.0529 15 C 4.7170 1.5000 0.9870 C.3 1 UNL1 -0.0506 16 C 4.6790 0.0590 0.4740 C.3 1 UNL1 -0.0212 17 C 3.0230 0.7250 -1.2750 C.3 1 UNL1 -0.0212 18 C 3.0620 2.1660 -0.7620 C.3 1 UNL1 -0.0506 19 C 3.2610 -1.6550 -0.6210 C.2 1 UNL1 0.3284 20 N -6.2490 -1.4010 -0.9490 N.1 1 UNL1 -0.1909 21 N 2.2770 -0.0580 0.9190 N.am 1 UNL1 -0.2996 22 O 0.6550 -0.5980 -0.4950 O.2 1 UNL1 -0.2754 23 O 4.2850 -2.2090 -0.9440 O.2 1 UNL1 -0.2486 24 O 2.0890 -2.3040 -0.7120 O.3 1 UNL1 -0.4791 25 H -3.5800 -2.9370 0.6580 H 1 UNL1 0.0631 26 H -1.3610 -2.4520 1.6040 H 1 UNL1 0.0621 27 H -1.7660 1.6500 0.5020 H 1 UNL1 0.0624 28 H -4.9300 1.1930 -1.3910 H 1 UNL1 0.0349 29 H -2.4750 2.9300 -0.5000 H 1 UNL1 0.0271 30 H -3.7700 3.4260 -1.7160 H 1 UNL1 0.0271 31 H -5.5490 3.1690 0.0740 H 1 UNL1 0.0271 32 H -4.2530 2.6730 1.2900 H 1 UNL1 0.0271 33 H -0.0460 0.9440 2.0550 H 1 UNL1 0.0407 34 H 0.1230 -0.7670 2.5150 H 1 UNL1 0.0407 35 H 4.4690 3.4880 0.1940 H 1 UNL1 0.0265 36 H 5.2020 2.3290 -0.9410 H 1 UNL1 0.0265 37 H 5.7010 1.7100 1.4080 H 1 UNL1 0.0266 38 H 3.9570 1.6320 1.7570 H 1 UNL1 0.0266 39 H 4.8750 -0.6260 1.2990 H 1 UNL1 0.0291 40 H 5.4390 -0.0730 -0.2960 H 1 UNL1 0.0291 41 H 3.7840 0.5930 -2.0440 H 1 UNL1 0.0291 42 H 2.0400 0.5150 -1.6950 H 1 UNL1 0.0291 43 H 2.3020 2.2980 0.0080 H 1 UNL1 0.0266 44 H 2.8660 2.8510 -1.5870 H 1 UNL1 0.0266 45 H 2.5350 0.2080 1.8150 H 1 UNL1 0.1498 46 H 2.1160 -3.2130 -1.0420 H 1 UNL1 0.2951 @BOND 1 9 8 1 2 9 10 1 3 23 19 2 4 8 10 1 5 8 1 1 6 6 1 ar 7 6 5 ar 8 11 5 1 9 11 12 1 10 1 2 ar 11 19 24 1 12 19 13 1 13 5 4 ar 14 12 21 am 15 12 22 2 16 21 13 1 17 17 13 1 18 17 18 1 19 13 16 1 20 2 7 1 21 2 3 ar 22 4 3 ar 23 18 14 1 24 7 20 3 25 16 15 1 26 14 15 1 27 3 25 1 28 4 26 1 29 6 27 1 30 8 28 1 31 9 29 1 32 9 30 1 33 10 31 1 34 10 32 1 35 11 33 1 36 11 34 1 37 14 35 1 38 14 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 17 42 1 45 18 43 1 46 18 44 1 47 21 45 1 48 24 46 1