@MOLECULE CW5 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.0150 0.9690 -0.2260 C.ar 1 UNL1 0.0544 2 C 2.1150 -0.3760 -0.5750 C.ar 1 UNL1 -0.0184 3 C 3.3640 -0.9720 -0.5520 C.ar 1 UNL1 0.0732 4 C -2.6560 0.9070 0.6460 C.ar 1 UNL1 0.0771 5 C -3.7730 0.8300 -0.1280 C.ar 1 UNL1 0.0961 6 C -2.6530 0.2980 1.9140 C.ar 1 UNL1 0.0530 7 C -4.8260 -0.4090 1.5950 C.ar 1 UNL1 0.1574 8 C -6.8410 -0.7670 0.6830 C.ar 1 UNL1 0.1534 9 C -6.0640 -1.0040 1.8060 C.ar 1 UNL1 0.0211 10 C -3.8030 1.4670 -1.4930 C.3 1 UNL1 0.0992 11 C -4.8300 2.6020 -1.5040 C.3 1 UNL1 -0.0330 12 C -0.3360 0.9380 0.1050 C.2 1 UNL1 0.3082 13 C -3.0530 -0.2100 -3.0320 C.3 1 UNL1 0.0373 14 C 8.2760 -0.6000 0.2770 C.3 1 UNL1 0.0151 15 C 8.9830 0.3470 1.2790 C.3 1 UNL1 -0.0357 16 C 4.4740 -0.2100 -0.1810 C.ar 1 UNL1 0.1438 17 N 4.3380 1.0710 0.1450 N.ar 1 UNL1 -0.2470 18 C 3.1680 1.6660 0.1330 C.ar 1 UNL1 0.0498 19 CL 3.5480 -2.6450 -0.9760 Cl 1 UNL1 -0.0811 20 C 5.8130 -0.8350 -0.1510 C.2 1 UNL1 0.2664 21 O 5.9440 -2.0060 -0.4480 O.2 1 UNL1 -0.2683 22 N 6.8890 -0.1060 0.2050 N.am 1 UNL1 -0.2962 23 N 0.7780 1.6120 -0.2420 N.am 1 UNL1 -0.2678 24 N -3.7190 -0.3330 2.3460 N.ar 1 UNL1 -0.2342 25 N -4.8670 0.1660 0.3510 N.ar 1 UNL1 -0.2129 26 N -6.1360 -0.0760 -0.1870 N.ar 1 UNL1 -0.1529 27 CL -8.4770 -1.3020 0.4570 Cl 1 UNL1 -0.0600 28 O -4.1650 0.4880 -2.4680 O.3 1 UNL1 -0.3739 29 N -1.5170 1.5820 0.1810 N.am 1 UNL1 -0.2663 30 O -0.2760 -0.2520 0.3490 O.2 1 UNL1 -0.2521 31 C 8.3230 1.7100 0.9380 C.3 1 UNL1 -0.0357 32 C 6.8740 1.3140 0.5870 C.3 1 UNL1 0.0151 33 H 1.2380 -0.9400 -0.8570 H 1 UNL1 0.0652 34 H -1.7700 0.3490 2.5340 H 1 UNL1 0.0850 35 H -6.3680 -1.5460 2.6900 H 1 UNL1 0.0685 36 H -2.8170 1.8670 -1.7290 H 1 UNL1 0.0659 37 H -4.5540 3.3490 -0.7600 H 1 UNL1 0.0258 38 H -4.8520 3.0620 -2.4910 H 1 UNL1 0.0258 39 H -5.8160 2.2010 -1.2680 H 1 UNL1 0.0258 40 H -3.4110 -0.9360 -3.7620 H 1 UNL1 0.0524 41 H -2.3880 0.5010 -3.5220 H 1 UNL1 0.0524 42 H -2.5100 -0.7290 -2.2410 H 1 UNL1 0.0524 43 H 8.7520 -0.5390 -0.7020 H 1 UNL1 0.0465 44 H 8.2970 -1.6250 0.6460 H 1 UNL1 0.0465 45 H 8.7700 0.0570 2.3080 H 1 UNL1 0.0281 46 H 10.0570 0.3770 1.0970 H 1 UNL1 0.0281 47 H 3.0980 2.7090 0.4040 H 1 UNL1 0.0849 48 H 0.7200 2.5450 -0.5020 H 1 UNL1 0.1564 49 H -1.5800 2.5130 -0.0860 H 1 UNL1 0.1565 50 H 8.3440 2.3750 1.8010 H 1 UNL1 0.0281 51 H 8.8170 2.1740 0.0830 H 1 UNL1 0.0281 52 H 6.5160 1.9180 -0.2470 H 1 UNL1 0.0465 53 H 6.2300 1.4580 1.4540 H 1 UNL1 0.0465 @BOND 1 24 6 ar 2 24 7 ar 3 6 4 ar 4 9 7 ar 5 9 8 ar 6 7 25 ar 7 4 29 1 8 4 5 ar 9 30 12 2 10 29 12 am 11 12 23 am 12 21 20 2 13 25 5 ar 14 25 26 ar 15 19 3 1 16 2 3 ar 17 2 1 ar 18 8 27 1 19 8 26 ar 20 23 1 1 21 5 10 1 22 3 16 ar 23 1 18 ar 24 16 17 ar 25 16 20 1 26 18 17 ar 27 20 22 am 28 11 10 1 29 10 28 1 30 22 14 1 31 22 32 1 32 14 15 1 33 28 13 1 34 32 31 1 35 15 31 1 36 2 33 1 37 6 34 1 38 9 35 1 39 10 36 1 40 11 37 1 41 11 38 1 42 11 39 1 43 13 40 1 44 13 41 1 45 13 42 1 46 14 43 1 47 14 44 1 48 15 45 1 49 15 46 1 50 18 47 1 51 23 48 1 52 29 49 1 53 31 50 1 54 31 51 1 55 32 52 1 56 32 53 1