@MOLECULE ***** 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.4990 2.4310 0.9510 C.ar 1 UNL1 0.0308 2 C -5.1210 0.5970 0.6200 C.ar 1 UNL1 0.1803 3 C -6.1780 -0.1330 0.0520 C.ar 1 UNL1 0.1218 4 C -7.4410 0.4880 -0.0600 C.ar 1 UNL1 0.0697 5 C -8.5430 -0.2810 -0.6560 C.ar 1 UNL1 0.2592 6 C -7.0190 -2.0590 -0.9180 C.ar 1 UNL1 0.0968 7 C -2.2920 -1.5130 0.9380 C.ar 1 UNL1 0.0530 8 C -1.6940 -0.2470 0.9310 C.ar 1 UNL1 -0.0082 9 C -2.6740 0.6770 0.8120 C.ar 1 UNL1 0.0362 10 C -0.2180 0.0360 1.0370 C.3 1 UNL1 -0.0119 11 C 0.3970 0.0690 -0.3640 C.3 1 UNL1 0.0030 12 C 2.5370 -0.7600 0.4080 C.3 1 UNL1 -0.0003 13 C 4.0020 -0.3770 0.6280 C.3 1 UNL1 -0.0307 14 CL 9.4160 -1.1640 1.0770 Cl 1 UNL1 -0.0835 15 C 8.2880 -0.0950 0.3030 C.ar 1 UNL1 0.0413 16 C 6.9790 -0.4950 0.1060 C.ar 1 UNL1 -0.0397 17 C 8.6980 1.1600 -0.1120 C.ar 1 UNL1 -0.0434 18 C 7.8000 2.0110 -0.7280 C.ar 1 UNL1 -0.0601 19 C 6.4920 1.6090 -0.9290 C.ar 1 UNL1 -0.0580 20 C 6.0810 0.3580 -0.5100 C.ar 1 UNL1 -0.0400 21 C 4.6550 -0.0780 -0.7250 C.3 1 UNL1 -0.0047 22 C 4.6300 -1.3370 -1.5940 C.3 1 UNL1 -0.0555 23 C 3.8770 1.0420 -1.4210 C.3 1 UNL1 -0.0307 24 C 2.4150 0.6180 -1.5820 C.3 1 UNL1 -0.0003 25 N 1.8360 0.3440 -0.2610 N.3 1 UNL1 -0.3019 26 N -3.5870 -1.3570 0.8280 N.ar 1 UNL1 -0.1731 27 N -3.8590 0.0150 0.7460 N.ar 1 UNL1 -0.2195 28 N -5.3250 1.8320 1.0400 N.ar 1 UNL1 -0.2344 29 N -6.0280 -1.4010 -0.3950 N.ar 1 UNL1 -0.2334 30 N -8.2680 -1.5440 -1.0610 N.ar 1 UNL1 -0.3129 31 O -9.6550 0.1970 -0.7800 O.2 1 UNL1 -0.2672 32 C -7.5950 1.7930 0.4070 C.ar 1 UNL1 -0.0291 33 H -6.6040 3.4420 1.3170 H 1 UNL1 0.0830 34 H -6.8410 -3.0700 -1.2540 H 1 UNL1 0.1028 35 H -1.7730 -2.4560 1.0170 H 1 UNL1 0.0851 36 H -2.5400 1.7480 0.7760 H 1 UNL1 0.0834 37 H -0.0660 0.9990 1.5230 H 1 UNL1 0.0327 38 H 0.2610 -0.7480 1.6250 H 1 UNL1 0.0327 39 H 0.2450 -0.8950 -0.8500 H 1 UNL1 0.0430 40 H -0.0820 0.8520 -0.9520 H 1 UNL1 0.0430 41 H 2.4840 -1.6530 -0.2150 H 1 UNL1 0.0427 42 H 2.0650 -0.9590 1.3700 H 1 UNL1 0.0427 43 H 4.0560 0.5080 1.2610 H 1 UNL1 0.0286 44 H 4.5250 -1.2020 1.1100 H 1 UNL1 0.0286 45 H 6.6580 -1.4720 0.4330 H 1 UNL1 0.0635 46 H 9.7190 1.4740 0.0450 H 1 UNL1 0.0632 47 H 8.1190 2.9900 -1.0520 H 1 UNL1 0.0618 48 H 5.7910 2.2740 -1.4110 H 1 UNL1 0.0620 49 H 5.1810 -2.1340 -1.0950 H 1 UNL1 0.0238 50 H 3.5980 -1.6510 -1.7490 H 1 UNL1 0.0238 51 H 5.0930 -1.1220 -2.5570 H 1 UNL1 0.0238 52 H 3.9290 1.9500 -0.8200 H 1 UNL1 0.0286 53 H 4.3120 1.2300 -2.4030 H 1 UNL1 0.0286 54 H 1.8560 1.4190 -2.0650 H 1 UNL1 0.0427 55 H 2.3640 -0.2820 -2.1950 H 1 UNL1 0.0427 56 H -8.9680 -2.0850 -1.4590 H 1 UNL1 0.1698 57 H -8.5500 2.2930 0.3450 H 1 UNL1 0.0641 @BOND 1 17 18 ar 2 17 15 ar 3 14 15 1 4 18 19 ar 5 15 16 ar 6 19 20 ar 7 16 20 ar 8 20 21 1 9 21 23 1 10 21 22 1 11 21 13 1 12 23 24 1 13 13 12 1 14 24 25 1 15 25 12 1 16 25 11 1 17 11 10 1 18 10 8 1 19 8 7 ar 20 8 9 ar 21 7 26 ar 22 9 27 ar 23 26 27 ar 24 27 2 1 25 2 3 ar 26 2 28 ar 27 29 3 ar 28 29 6 ar 29 3 4 ar 30 28 1 ar 31 6 30 ar 32 1 32 ar 33 4 32 ar 34 4 5 ar 35 30 5 ar 36 5 31 2 37 1 33 1 38 6 34 1 39 7 35 1 40 9 36 1 41 10 37 1 42 10 38 1 43 11 39 1 44 11 40 1 45 12 41 1 46 12 42 1 47 13 43 1 48 13 44 1 49 16 45 1 50 17 46 1 51 18 47 1 52 19 48 1 53 22 49 1 54 22 50 1 55 22 51 1 56 23 52 1 57 23 53 1 58 24 54 1 59 24 55 1 60 30 56 1 61 32 57 1