@MOLECULE ***** 109 110 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.1210 0.6190 -0.5510 N.am 1 UNL1 -0.3077 2 C 12.8450 -1.7930 0.2640 C.3 1 UNL1 -0.0531 3 C 11.7970 -0.6810 0.3410 C.3 1 UNL1 -0.0531 4 C 16.6370 -1.7730 0.9280 C.3 1 UNL1 -0.0559 5 C 15.2650 -2.3390 0.5580 C.3 1 UNL1 -0.0533 6 C 14.2170 -1.2270 0.6350 C.3 1 UNL1 -0.0531 7 O -3.4140 -0.5070 -1.9590 O.2 1 UNL1 -0.2758 8 C -3.0050 -0.3610 -0.8260 C.2 1 UNL1 0.2134 9 C -3.4850 -1.2730 0.2720 C.3 1 UNL1 0.0240 10 C -4.4740 -2.2880 -0.3040 C.3 1 UNL1 -0.0448 11 C -4.9620 -3.2150 0.8120 C.3 1 UNL1 -0.0523 12 C -5.9510 -4.2300 0.2360 C.3 1 UNL1 -0.0491 13 C -6.4390 -5.1570 1.3520 C.3 1 UNL1 -0.0277 14 C -7.4140 -6.1560 0.7840 C.ar 1 UNL1 -0.0474 15 C -6.9570 -7.3660 0.2950 C.ar 1 UNL1 -0.0586 16 C -7.8520 -8.2820 -0.2260 C.ar 1 UNL1 -0.0615 17 C -9.2020 -7.9900 -0.2560 C.ar 1 UNL1 -0.0617 18 C -9.6590 -6.7810 0.2340 C.ar 1 UNL1 -0.0615 19 C -8.7650 -5.8660 0.7590 C.ar 1 UNL1 -0.0586 20 C -1.6540 1.5060 -1.6190 C.3 1 UNL1 0.0748 21 C -2.6480 2.6550 -1.7980 C.3 1 UNL1 0.0716 22 O -2.6730 3.4530 -0.6130 O.3 1 UNL1 -0.3468 23 C -3.5750 4.5600 -0.6760 C.3 1 UNL1 0.1880 24 C -3.3410 5.4770 0.5270 C.3 1 UNL1 0.1341 25 O -1.9800 5.9130 0.5390 O.3 1 UNL1 -0.3841 26 C -3.6430 4.7050 1.8150 C.3 1 UNL1 0.1141 27 O -3.4980 5.5750 2.9400 O.3 1 UNL1 -0.3864 28 C -5.0800 4.1770 1.7570 C.3 1 UNL1 0.1119 29 O -5.9900 5.2770 1.6990 O.3 1 UNL1 -0.3865 30 C -5.2460 3.3090 0.5060 C.3 1 UNL1 0.1130 31 C -6.6950 2.8280 0.4090 C.3 1 UNL1 0.0730 32 O -6.8230 1.9250 -0.6920 O.3 1 UNL1 -0.3924 33 O -4.9200 4.0800 -0.6530 O.3 1 UNL1 -0.3405 34 C -0.2820 2.0720 -1.2490 C.3 1 UNL1 0.1014 35 O 0.1160 3.0350 -2.2270 O.3 1 UNL1 -0.3873 36 C 0.7430 0.9370 -1.2040 C.3 1 UNL1 0.0829 37 O 0.3450 -0.0260 -0.2260 O.3 1 UNL1 -0.3892 38 C 2.1150 1.5030 -0.8340 C.3 1 UNL1 -0.0244 39 C 3.1630 0.3910 -0.9100 C.3 1 UNL1 -0.0506 40 C 4.5360 0.9570 -0.5400 C.3 1 UNL1 -0.0530 41 C 5.5840 -0.1550 -0.6170 C.3 1 UNL1 -0.0531 42 C 6.9560 0.4110 -0.2460 C.3 1 UNL1 -0.0531 43 C 8.0040 -0.7010 -0.3230 C.3 1 UNL1 -0.0531 44 C 9.3760 -0.1350 0.0470 C.3 1 UNL1 -0.0531 45 C 10.4240 -1.2470 -0.0290 C.3 1 UNL1 -0.0531 46 C 17.6850 -2.8850 0.8520 C.3 1 UNL1 -0.0653 47 H -1.7960 0.7380 0.3550 H 1 UNL1 0.1491 48 H 12.5810 -2.5900 0.9600 H 1 UNL1 0.0265 49 H 12.8780 -2.1920 -0.7490 H 1 UNL1 0.0265 50 H 11.7640 -0.2820 1.3550 H 1 UNL1 0.0265 51 H 12.0610 0.1160 -0.3540 H 1 UNL1 0.0265 52 H 16.9020 -0.9760 0.2330 H 1 UNL1 0.0263 53 H 16.6040 -1.3740 1.9420 H 1 UNL1 0.0263 54 H 15.2980 -2.7380 -0.4560 H 1 UNL1 0.0265 55 H 15.0010 -3.1360 1.2530 H 1 UNL1 0.0265 56 H 14.4810 -0.4300 -0.0610 H 1 UNL1 0.0265 57 H 14.1840 -0.8280 1.6490 H 1 UNL1 0.0265 58 H -2.6340 -1.8010 0.7040 H 1 UNL1 0.0358 59 H -3.9770 -0.6840 1.0450 H 1 UNL1 0.0358 60 H -5.3250 -1.7610 -0.7360 H 1 UNL1 0.0270 61 H -3.9820 -2.8780 -1.0770 H 1 UNL1 0.0270 62 H -4.1110 -3.7420 1.2440 H 1 UNL1 0.0265 63 H -5.4540 -2.6250 1.5850 H 1 UNL1 0.0265 64 H -6.8020 -3.7030 -0.1960 H 1 UNL1 0.0268 65 H -5.4590 -4.8190 -0.5370 H 1 UNL1 0.0268 66 H -5.5880 -5.6840 1.7830 H 1 UNL1 0.0313 67 H -6.9310 -4.5670 2.1250 H 1 UNL1 0.0313 68 H -5.9020 -7.5940 0.3180 H 1 UNL1 0.0620 69 H -7.4950 -9.2270 -0.6090 H 1 UNL1 0.0618 70 H -9.9010 -8.7060 -0.6630 H 1 UNL1 0.0618 71 H -10.7140 -6.5520 0.2100 H 1 UNL1 0.0618 72 H -9.1220 -4.9230 1.1450 H 1 UNL1 0.0620 73 H -1.5760 0.9450 -2.5500 H 1 UNL1 0.0547 74 H -2.3430 3.2710 -2.6440 H 1 UNL1 0.0580 75 H -3.6430 2.2500 -1.9840 H 1 UNL1 0.0580 76 H -3.4030 5.1170 -1.5970 H 1 UNL1 0.0937 77 H -4.0000 6.3430 0.4580 H 1 UNL1 0.0671 78 H -1.7180 6.4060 -0.2500 H 1 UNL1 0.2101 79 H -2.9490 3.8690 1.9100 H 1 UNL1 0.0648 80 H -2.6130 5.9510 3.0340 H 1 UNL1 0.2100 81 H -5.2850 3.5800 2.6450 H 1 UNL1 0.0647 82 H -5.9360 5.8720 2.4600 H 1 UNL1 0.2100 83 H -4.5800 2.4490 0.5700 H 1 UNL1 0.0647 84 H -6.9710 2.3170 1.3310 H 1 UNL1 0.0584 85 H -7.3520 3.6830 0.2550 H 1 UNL1 0.0584 86 H -7.7180 1.5790 -0.8140 H 1 UNL1 0.2095 87 H -0.3380 2.5500 -0.2710 H 1 UNL1 0.0638 88 H 0.1140 2.6980 -3.1340 H 1 UNL1 0.2100 89 H 0.7990 0.4590 -2.1820 H 1 UNL1 0.0620 90 H 0.2740 0.3310 0.6710 H 1 UNL1 0.2099 91 H 2.3790 2.3000 -1.5290 H 1 UNL1 0.0291 92 H 2.0820 1.9020 0.1800 H 1 UNL1 0.0291 93 H 2.8990 -0.4060 -0.2150 H 1 UNL1 0.0266 94 H 3.1960 -0.0080 -1.9240 H 1 UNL1 0.0266 95 H 4.8000 1.7540 -1.2350 H 1 UNL1 0.0265 96 H 4.5030 1.3560 0.4740 H 1 UNL1 0.0265 97 H 5.3200 -0.9520 0.0790 H 1 UNL1 0.0265 98 H 5.6170 -0.5540 -1.6300 H 1 UNL1 0.0265 99 H 7.2200 1.2080 -0.9420 H 1 UNL1 0.0265 100 H 6.9230 0.8100 0.7680 H 1 UNL1 0.0265 101 H 7.7400 -1.4980 0.3730 H 1 UNL1 0.0265 102 H 8.0370 -1.1000 -1.3370 H 1 UNL1 0.0265 103 H 9.6410 0.6620 -0.6480 H 1 UNL1 0.0265 104 H 9.3430 0.2640 1.0610 H 1 UNL1 0.0265 105 H 10.4570 -1.6460 -1.0430 H 1 UNL1 0.0265 106 H 10.1600 -2.0440 0.6660 H 1 UNL1 0.0265 107 H 17.4210 -3.6820 1.5470 H 1 UNL1 0.0230 108 H 17.7180 -3.2840 -0.1620 H 1 UNL1 0.0230 109 H 18.6630 -2.4820 1.1160 H 1 UNL1 0.0230 @BOND 1 1 8 am 2 1 20 1 3 2 3 1 4 2 6 1 5 3 45 1 6 4 5 1 7 4 46 1 8 5 6 1 9 7 8 2 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 ar 17 14 19 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 20 21 1 23 20 34 1 24 21 22 1 25 22 23 1 26 23 24 1 27 23 33 1 28 24 25 1 29 24 26 1 30 26 27 1 31 26 28 1 32 28 29 1 33 28 30 1 34 30 31 1 35 30 33 1 36 31 32 1 37 34 35 1 38 34 36 1 39 36 37 1 40 36 38 1 41 38 39 1 42 39 40 1 43 40 41 1 44 41 42 1 45 42 43 1 46 43 44 1 47 44 45 1 48 1 47 1 49 2 48 1 50 2 49 1 51 3 50 1 52 3 51 1 53 4 52 1 54 4 53 1 55 5 54 1 56 5 55 1 57 6 56 1 58 6 57 1 59 9 58 1 60 9 59 1 61 10 60 1 62 10 61 1 63 11 62 1 64 11 63 1 65 12 64 1 66 12 65 1 67 13 66 1 68 13 67 1 69 15 68 1 70 16 69 1 71 17 70 1 72 18 71 1 73 19 72 1 74 20 73 1 75 21 74 1 76 21 75 1 77 23 76 1 78 24 77 1 79 25 78 1 80 26 79 1 81 27 80 1 82 28 81 1 83 29 82 1 84 30 83 1 85 31 84 1 86 31 85 1 87 32 86 1 88 34 87 1 89 35 88 1 90 36 89 1 91 37 90 1 92 38 91 1 93 38 92 1 94 39 93 1 95 39 94 1 96 40 95 1 97 40 96 1 98 41 97 1 99 41 98 1 100 42 99 1 101 42 100 1 102 43 101 1 103 43 102 1 104 44 103 1 105 44 104 1 106 45 105 1 107 45 106 1 108 46 107 1 109 46 108 1 110 46 109 1