@MOLECULE ***** 88 89 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.8450 0.7580 -0.2920 C.ar 1 UNL1 -0.0585 2 C -7.3500 1.4230 0.8100 C.ar 1 UNL1 -0.0615 3 C -7.3030 0.8290 2.0570 C.ar 1 UNL1 -0.0617 4 C -6.7530 -0.4310 2.2030 C.ar 1 UNL1 -0.0615 5 C -6.2490 -1.0960 1.1010 C.ar 1 UNL1 -0.0585 6 C -6.2940 -0.5020 -0.1460 C.ar 1 UNL1 -0.0451 7 C -5.7490 -1.2290 -1.3490 C.3 1 UNL1 -0.0007 8 C -4.2700 -0.8820 -1.5280 C.3 1 UNL1 0.1031 9 C -3.7570 -1.5110 -2.7970 C.2 1 UNL1 0.2311 10 O -2.8430 -2.3080 -2.7530 O.2 1 UNL1 -0.2740 11 N -4.3130 -1.1880 -3.9820 N.am 1 UNL1 -0.3278 12 N -3.5070 -1.3940 -0.3860 N.am 1 UNL1 -0.3023 13 C -2.3370 -0.8180 -0.0460 C.2 1 UNL1 0.2332 14 O -1.9160 0.1230 -0.6840 O.2 1 UNL1 -0.2740 15 C -1.5520 -1.3450 1.1280 C.3 1 UNL1 0.1107 16 C -2.3990 -1.2380 2.3970 C.3 1 UNL1 0.0762 17 C -2.6460 0.2360 2.7240 C.3 1 UNL1 -0.0370 18 O -1.7090 -1.8570 3.4850 O.3 1 UNL1 -0.3900 19 N -0.3250 -0.5530 1.2910 N.3 1 UNL1 -0.3018 20 C 0.8250 -1.4200 1.5820 C.3 1 UNL1 0.0172 21 C 2.0530 -0.5550 1.8770 C.3 1 UNL1 0.0590 22 N 2.2830 0.3640 0.7600 N.am 1 UNL1 -0.3075 23 C 2.9410 1.5220 0.9650 C.2 1 UNL1 0.2337 24 O 3.3440 1.8030 2.0740 O.2 1 UNL1 -0.2738 25 C 3.1770 2.4680 -0.1840 C.3 1 UNL1 0.0993 26 N 4.2780 3.3760 0.1480 N.am 1 UNL1 -0.3042 27 C 4.1830 4.1850 1.2220 C.2 1 UNL1 0.2105 28 O 3.1860 4.1620 1.9130 O.2 1 UNL1 -0.2761 29 C 5.3150 5.1190 1.5640 C.3 1 UNL1 0.0122 30 C 1.9070 3.2810 -0.4450 C.3 1 UNL1 -0.0259 31 C 2.1050 4.1500 -1.6880 C.3 1 UNL1 -0.0498 32 C 0.8350 4.9630 -1.9490 C.3 1 UNL1 -0.0406 33 C 1.0320 5.8330 -3.1930 C.3 1 UNL1 -0.0069 34 N -0.1870 6.6130 -3.4430 N.3 1 UNL1 -0.3300 35 C 3.2780 -1.4540 2.0580 C.3 1 UNL1 0.0676 36 O 3.4310 -2.2880 0.9080 O.3 1 UNL1 -0.3733 37 C 4.5520 -3.1710 0.9750 C.3 1 UNL1 0.0742 38 C 4.6170 -3.9980 -0.2840 C.ar 1 UNL1 -0.0038 39 C 5.3340 -3.5490 -1.3820 C.ar 1 UNL1 -0.0535 40 C 5.3650 -4.3430 -2.5190 C.ar 1 UNL1 -0.0433 41 C 4.6860 -5.5470 -2.5180 C.ar 1 UNL1 0.0276 42 N 4.0140 -5.9410 -1.4550 N.ar 1 UNL1 -0.2629 43 C 3.9670 -5.2150 -0.3550 C.ar 1 UNL1 0.0329 44 H -6.8850 1.2200 -1.2670 H 1 UNL1 0.0620 45 H -7.7800 2.4070 0.6960 H 1 UNL1 0.0618 46 H -7.6970 1.3490 2.9180 H 1 UNL1 0.0618 47 H -6.7160 -0.8950 3.1770 H 1 UNL1 0.0618 48 H -5.8180 -2.0800 1.2140 H 1 UNL1 0.0620 49 H -5.8550 -2.3040 -1.2010 H 1 UNL1 0.0336 50 H -6.3030 -0.9280 -2.2370 H 1 UNL1 0.0336 51 H -4.1550 0.2000 -1.5860 H 1 UNL1 0.0598 52 H -5.0430 -0.5510 -4.0170 H 1 UNL1 0.1450 53 H -3.9820 -1.5930 -4.7990 H 1 UNL1 0.1450 54 H -3.8440 -2.1470 0.1240 H 1 UNL1 0.1495 55 H -1.2910 -2.3880 0.9520 H 1 UNL1 0.0582 56 H -3.3540 -1.7400 2.2400 H 1 UNL1 0.0611 57 H -3.2490 0.6870 1.9350 H 1 UNL1 0.0255 58 H -3.1740 0.3150 3.6740 H 1 UNL1 0.0255 59 H -1.6920 0.7580 2.7940 H 1 UNL1 0.0255 60 H -0.8540 -1.4540 3.6890 H 1 UNL1 0.2098 61 H -0.1510 0.0160 0.4760 H 1 UNL1 0.1228 62 H 0.6020 -2.0410 2.4500 H 1 UNL1 0.0443 63 H 1.0280 -2.0570 0.7210 H 1 UNL1 0.0443 64 H 1.8840 0.0170 2.7900 H 1 UNL1 0.0533 65 H 1.9610 0.1400 -0.1270 H 1 UNL1 0.1492 66 H 3.4340 1.8980 -1.0770 H 1 UNL1 0.0594 67 H 5.0750 3.3940 -0.4040 H 1 UNL1 0.1494 68 H 5.1650 6.0730 1.0600 H 1 UNL1 0.0322 69 H 5.3420 5.2780 2.6420 H 1 UNL1 0.0322 70 H 6.2590 4.6800 1.2380 H 1 UNL1 0.0322 71 H 1.0690 2.6030 -0.6050 H 1 UNL1 0.0288 72 H 1.7010 3.9180 0.4150 H 1 UNL1 0.0288 73 H 2.9430 4.8280 -1.5280 H 1 UNL1 0.0266 74 H 2.3120 3.5130 -2.5480 H 1 UNL1 0.0266 75 H -0.0040 4.2850 -2.1090 H 1 UNL1 0.0277 76 H 0.6280 5.6000 -1.0890 H 1 UNL1 0.0277 77 H 1.8710 6.5100 -3.0320 H 1 UNL1 0.0422 78 H 1.2390 5.1960 -4.0520 H 1 UNL1 0.0422 79 H -0.0820 7.1960 -4.2600 H 1 UNL1 0.1182 80 H -0.9910 6.0100 -3.5310 H 1 UNL1 0.1182 81 H 4.1670 -0.8360 2.1800 H 1 UNL1 0.0579 82 H 3.1440 -2.0770 2.9430 H 1 UNL1 0.0579 83 H 5.4680 -2.5880 1.0740 H 1 UNL1 0.0610 84 H 4.4450 -3.8290 1.8370 H 1 UNL1 0.0610 85 H 5.8560 -2.6040 -1.3540 H 1 UNL1 0.0622 86 H 5.9140 -4.0250 -3.3930 H 1 UNL1 0.0633 87 H 4.7050 -6.1710 -3.3990 H 1 UNL1 0.0829 88 H 3.4100 -5.5730 0.4980 H 1 UNL1 0.0833 @BOND 1 2 3 ar 2 2 1 ar 3 3 4 ar 4 1 6 ar 5 4 5 ar 6 6 5 ar 7 6 7 1 8 7 8 1 9 34 33 1 10 11 9 am 11 33 32 1 12 8 12 1 13 8 9 1 14 32 31 1 15 12 13 am 16 9 10 2 17 31 30 1 18 13 15 1 19 13 14 2 20 30 25 1 21 15 16 1 22 15 19 1 23 16 17 1 24 16 18 1 25 20 19 1 26 20 21 1 27 25 23 1 28 25 26 1 29 23 22 am 30 23 24 2 31 22 21 1 32 21 35 1 33 26 27 am 34 35 36 1 35 27 28 2 36 27 29 1 37 36 37 1 38 37 38 1 39 43 38 ar 40 43 42 ar 41 38 39 ar 42 42 41 ar 43 39 40 ar 44 41 40 ar 45 1 44 1 46 2 45 1 47 3 46 1 48 4 47 1 49 5 48 1 50 7 49 1 51 7 50 1 52 8 51 1 53 11 52 1 54 11 53 1 55 12 54 1 56 15 55 1 57 16 56 1 58 17 57 1 59 17 58 1 60 17 59 1 61 18 60 1 62 19 61 1 63 20 62 1 64 20 63 1 65 21 64 1 66 22 65 1 67 25 66 1 68 26 67 1 69 29 68 1 70 29 69 1 71 29 70 1 72 30 71 1 73 30 72 1 74 31 73 1 75 31 74 1 76 32 75 1 77 32 76 1 78 33 77 1 79 33 78 1 80 34 79 1 81 34 80 1 82 35 81 1 83 35 82 1 84 37 83 1 85 37 84 1 86 39 85 1 87 40 86 1 88 41 87 1 89 43 88 1