@MOLECULE ***** 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.7370 -0.1520 0.3720 C.ar 1 UNL1 0.0681 2 C 4.2130 -1.2840 1.0060 C.ar 1 UNL1 -0.0342 3 C 5.0060 -2.3440 1.3150 C.ar 1 UNL1 -0.0337 4 C 6.3750 -2.3130 0.9970 C.ar 1 UNL1 0.0711 5 C 6.9120 -1.1690 0.3540 C.ar 1 UNL1 0.0024 6 C 6.0740 -0.0880 0.0460 C.ar 1 UNL1 -0.0270 7 C 8.4500 -3.3240 1.0010 C.ar 1 UNL1 0.0283 8 N 7.1730 -3.3440 1.2930 N.ar 1 UNL1 -0.2550 9 C 8.2840 -1.1450 0.0380 C.ar 1 UNL1 -0.0511 10 C 9.0410 -2.2320 0.3690 C.ar 1 UNL1 -0.0430 11 C -8.5780 -0.0440 -0.6110 C.ar 1 UNL1 0.0319 12 N -8.1210 0.2250 0.5940 N.ar 1 UNL1 -0.2501 13 C -6.8410 0.0640 0.9090 C.ar 1 UNL1 0.1288 14 C -5.9320 -0.4010 -0.0360 C.ar 1 UNL1 0.0112 15 C -6.3850 -0.6950 -1.3200 C.ar 1 UNL1 0.1321 16 C -7.7350 -0.5100 -1.6040 C.ar 1 UNL1 -0.0012 17 C -1.9860 -0.3330 -2.1560 C.ar 1 UNL1 -0.0342 18 C -3.3300 -0.2690 -2.4690 C.ar 1 UNL1 -0.0174 19 C -4.2080 -1.2160 -1.9620 C.ar 1 UNL1 0.1313 20 C -3.7370 -2.2300 -1.1400 C.ar 1 UNL1 0.0177 21 C -2.3920 -2.2960 -0.8260 C.ar 1 UNL1 0.1480 22 C -1.5130 -1.3460 -1.3340 C.ar 1 UNL1 0.0704 23 C 3.1930 2.9820 -0.2620 C.ar 1 UNL1 0.0706 24 C 2.1390 2.1030 -0.5280 C.ar 1 UNL1 0.0021 25 C 2.5910 0.8350 -0.3240 C.ar 1 UNL1 0.1299 26 N 3.8930 0.9230 0.0610 N.ar 1 UNL1 -0.2180 27 N 4.2400 2.2800 0.0900 N.ar 1 UNL1 -0.1691 28 N 1.8530 -0.3380 -0.4790 N.am 1 UNL1 -0.2538 29 C 0.5640 -0.2780 -0.8670 C.2 1 UNL1 0.3093 30 N -0.1480 -1.4120 -1.0170 N.am 1 UNL1 -0.2667 31 O 0.0440 0.8000 -1.0820 O.2 1 UNL1 -0.2521 32 O -5.5300 -1.1510 -2.2710 O.3 1 UNL1 -0.4558 33 F -1.9330 -3.2820 -0.0250 F 1 UNL1 -0.2034 34 C -6.3770 0.3820 2.2800 C.2 1 UNL1 0.2623 35 O -5.2070 0.2360 2.5740 O.2 1 UNL1 -0.2685 36 N -7.2520 0.8330 3.2000 N.am 1 UNL1 -0.3132 37 C -6.7930 1.1480 4.5550 C.3 1 UNL1 0.0004 38 C 3.1350 4.4840 -0.3680 C.3 1 UNL1 0.0063 39 C 2.3560 5.0490 0.8220 C.3 1 UNL1 -0.0546 40 C 4.5560 5.0510 -0.3620 C.3 1 UNL1 -0.0546 41 C 2.4340 4.8770 -1.6700 C.3 1 UNL1 -0.0546 42 H 3.1620 -1.3160 1.2540 H 1 UNL1 0.0639 43 H 4.5850 -3.2090 1.8050 H 1 UNL1 0.0640 44 H 6.4730 0.7890 -0.4430 H 1 UNL1 0.0645 45 H 9.0610 -4.1770 1.2560 H 1 UNL1 0.0830 46 H 8.7260 -0.2890 -0.4510 H 1 UNL1 0.0625 47 H 10.0970 -2.2450 0.1410 H 1 UNL1 0.0633 48 H -9.6270 0.0960 -0.8260 H 1 UNL1 0.0831 49 H -4.8920 -0.5310 0.2220 H 1 UNL1 0.0677 50 H -8.1200 -0.7290 -2.5890 H 1 UNL1 0.0669 51 H -1.3030 0.4020 -2.5550 H 1 UNL1 0.0638 52 H -3.6980 0.5200 -3.1090 H 1 UNL1 0.0655 53 H -4.4210 -2.9670 -0.7460 H 1 UNL1 0.0684 54 H 1.1440 2.3800 -0.8410 H 1 UNL1 0.0671 55 H 2.2680 -1.1980 -0.3070 H 1 UNL1 0.1578 56 H 0.2820 -2.2740 -0.9050 H 1 UNL1 0.1565 57 H -8.1860 0.9490 2.9650 H 1 UNL1 0.1487 58 H -6.0330 1.9280 4.5090 H 1 UNL1 0.0426 59 H -7.6350 1.4960 5.1520 H 1 UNL1 0.0426 60 H -6.3680 0.2540 5.0110 H 1 UNL1 0.0426 61 H 2.8560 4.7690 1.7490 H 1 UNL1 0.0239 62 H 2.3140 6.1360 0.7450 H 1 UNL1 0.0239 63 H 1.3440 4.6450 0.8180 H 1 UNL1 0.0239 64 H 5.1110 4.6480 -1.2100 H 1 UNL1 0.0239 65 H 4.5150 6.1370 -0.4390 H 1 UNL1 0.0239 66 H 5.0560 4.7710 0.5650 H 1 UNL1 0.0239 67 H 1.4220 4.4730 -1.6730 H 1 UNL1 0.0239 68 H 2.3920 5.9630 -1.7460 H 1 UNL1 0.0239 69 H 2.9890 4.4740 -2.5170 H 1 UNL1 0.0239 @BOND 1 1 2 ar 2 1 6 ar 3 1 26 1 4 2 3 ar 5 3 4 ar 6 4 5 ar 7 4 8 ar 8 5 6 ar 9 5 9 ar 10 7 8 ar 11 7 10 ar 12 9 10 ar 13 11 12 ar 14 11 16 ar 15 12 13 ar 16 13 14 ar 17 13 34 1 18 14 15 ar 19 15 16 ar 20 15 32 1 21 17 18 ar 22 17 22 ar 23 18 19 ar 24 19 20 ar 25 19 32 1 26 20 21 ar 27 21 22 ar 28 21 33 1 29 22 30 1 30 23 24 ar 31 23 27 ar 32 23 38 1 33 24 25 ar 34 25 26 ar 35 25 28 1 36 26 27 ar 37 28 29 am 38 29 30 am 39 29 31 2 40 34 35 2 41 34 36 am 42 36 37 1 43 38 39 1 44 38 40 1 45 38 41 1 46 2 42 1 47 3 43 1 48 6 44 1 49 7 45 1 50 9 46 1 51 10 47 1 52 11 48 1 53 14 49 1 54 16 50 1 55 17 51 1 56 18 52 1 57 20 53 1 58 24 54 1 59 28 55 1 60 30 56 1 61 36 57 1 62 37 58 1 63 37 59 1 64 37 60 1 65 39 61 1 66 39 62 1 67 39 63 1 68 40 64 1 69 40 65 1 70 40 66 1 71 41 67 1 72 41 68 1 73 41 69 1