@MOLECULE ***** 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.6710 -0.0200 -0.1630 C.ar 1 UNL1 0.1240 2 C -1.5170 0.7510 -0.1500 C.ar 1 UNL1 -0.0014 3 C -0.2780 0.1400 -0.1700 C.ar 1 UNL1 -0.0334 4 C -0.1880 -1.2450 -0.2030 C.ar 1 UNL1 0.0356 5 C -1.3430 -2.0160 -0.2160 C.ar 1 UNL1 -0.0368 6 C -2.5810 -1.4040 -0.1960 C.ar 1 UNL1 -0.0179 7 C -5.0350 -0.2730 -0.1470 C.3 1 UNL1 0.0919 8 C -6.3060 0.5780 -0.1150 C.3 1 UNL1 -0.0124 9 C -7.5310 -0.3300 -0.2510 C.3 1 UNL1 -0.0596 10 C -6.3790 1.3370 1.2110 C.3 1 UNL1 -0.0596 11 C -1.6160 2.2540 -0.1140 C.3 1 UNL1 -0.0180 12 C -0.9250 2.7810 1.1450 C.3 1 UNL1 -0.0585 13 C -0.9350 2.8390 -1.3530 C.3 1 UNL1 -0.0585 14 C 1.1630 -3.3230 -0.3090 C.3 1 UNL1 0.0158 15 C 1.1780 -3.9170 1.1010 C.3 1 UNL1 -0.0489 16 C 2.2190 -1.0970 -0.1640 C.ar 1 UNL1 0.1255 17 C 2.8720 -0.7450 -1.3440 C.ar 1 UNL1 -0.0206 18 C 4.0100 0.0120 -1.2810 C.ar 1 UNL1 -0.0430 19 C 4.4810 0.4100 -0.0200 C.ar 1 UNL1 0.0770 20 C 3.7760 0.0210 1.1210 C.ar 1 UNL1 0.0437 21 C 5.7030 1.2260 0.0990 C.2 1 UNL1 0.3383 22 N 1.0670 -1.8640 -0.2240 N.pl3 1 UNL1 -0.2854 23 N 2.6880 -0.7130 1.0160 N.ar 1 UNL1 -0.2392 24 O -3.8900 0.5820 -0.1380 O.3 1 UNL1 -0.4914 25 O 6.1460 1.6030 1.3140 O.3 1 UNL1 -0.4771 26 O 6.3100 1.5600 -0.8990 O.2 1 UNL1 -0.2451 27 H 0.6190 0.7400 -0.1600 H 1 UNL1 0.0640 28 H -1.2730 -3.0930 -0.2420 H 1 UNL1 0.0637 29 H -3.4790 -2.0030 -0.2070 H 1 UNL1 0.0655 30 H -5.0110 -0.9230 0.7280 H 1 UNL1 0.0699 31 H -5.0270 -0.8810 -1.0520 H 1 UNL1 0.0699 32 H -6.2880 1.2890 -0.9410 H 1 UNL1 0.0328 33 H -7.5490 -1.0410 0.5740 H 1 UNL1 0.0233 34 H -8.4370 0.2760 -0.2280 H 1 UNL1 0.0233 35 H -7.4790 -0.8710 -1.1960 H 1 UNL1 0.0233 36 H -5.5070 1.9830 1.3080 H 1 UNL1 0.0233 37 H -7.2850 1.9430 1.2340 H 1 UNL1 0.0233 38 H -6.3970 0.6250 2.0370 H 1 UNL1 0.0233 39 H -2.6650 2.5490 -0.1030 H 1 UNL1 0.0345 40 H 0.1250 2.4860 1.1340 H 1 UNL1 0.0235 41 H -0.9960 3.8680 1.1710 H 1 UNL1 0.0235 42 H -1.4100 2.3640 2.0270 H 1 UNL1 0.0235 43 H -1.4280 2.4640 -2.2500 H 1 UNL1 0.0235 44 H -1.0070 3.9270 -1.3270 H 1 UNL1 0.0235 45 H 0.1140 2.5440 -1.3640 H 1 UNL1 0.0235 46 H 2.0810 -3.5980 -0.8290 H 1 UNL1 0.0465 47 H 0.3050 -3.7120 -0.8580 H 1 UNL1 0.0465 48 H 1.2490 -5.0030 1.0380 H 1 UNL1 0.0245 49 H 2.0360 -3.5280 1.6500 H 1 UNL1 0.0245 50 H 0.2600 -3.6420 1.6200 H 1 UNL1 0.0245 51 H 2.4840 -1.0670 -2.2990 H 1 UNL1 0.0652 52 H 4.5340 0.2980 -2.1820 H 1 UNL1 0.0627 53 H 4.1280 0.3200 2.0970 H 1 UNL1 0.0838 54 H 6.9520 2.1370 1.3420 H 1 UNL1 0.2954 @BOND 1 12 11 1 2 9 8 1 3 13 11 1 4 11 2 1 5 24 7 1 6 24 1 1 7 8 7 1 8 8 10 1 9 2 1 ar 10 2 3 ar 11 1 6 ar 12 3 4 ar 13 26 21 2 14 6 5 ar 15 18 17 ar 16 18 19 ar 17 21 19 1 18 21 25 1 19 17 16 ar 20 4 5 ar 21 4 22 1 22 19 20 ar 23 16 22 1 24 16 23 ar 25 20 23 ar 26 22 14 1 27 15 14 1 28 3 27 1 29 5 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 8 32 1 34 9 33 1 35 9 34 1 36 9 35 1 37 10 36 1 38 10 37 1 39 10 38 1 40 11 39 1 41 12 40 1 42 12 41 1 43 12 42 1 44 13 43 1 45 13 44 1 46 13 45 1 47 14 46 1 48 14 47 1 49 15 48 1 50 15 49 1 51 15 50 1 52 17 51 1 53 18 52 1 54 20 53 1 55 25 54 1