@MOLECULE C7T 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4220 5.4180 1.1090 C.3 1 UNL1 -0.0154 2 C -4.1940 4.0520 0.4600 C.3 1 UNL1 0.1215 3 C 2.7660 1.6130 1.1150 C.ar 1 UNL1 -0.0182 4 C 2.1410 2.2730 -1.5010 C.ar 1 UNL1 -0.0366 5 C 1.1350 2.1250 -0.5630 C.ar 1 UNL1 -0.0435 6 C -0.3050 2.3170 -0.9620 C.3 1 UNL1 -0.0006 7 C -2.5930 2.2740 -0.0020 C.2 1 UNL1 0.2348 8 C -0.3760 -1.9810 0.4100 C.ar 1 UNL1 0.0785 9 C -1.4900 -2.6010 -0.1620 C.ar 1 UNL1 -0.0426 10 C 0.5640 -4.1500 0.8850 C.ar 1 UNL1 -0.0189 11 C 0.6610 -2.7670 0.9320 C.ar 1 UNL1 0.1331 12 C -4.3700 5.2950 -0.4150 C.3 1 UNL1 -0.0154 13 C 3.7750 1.7440 0.1720 C.ar 1 UNL1 0.1392 14 C 3.4610 2.0810 -1.1370 C.ar 1 UNL1 0.0828 15 C 1.4480 1.8000 0.7440 C.ar 1 UNL1 -0.0550 16 CL 4.7220 2.2600 -2.3160 Cl 1 UNL1 -0.0797 17 O 5.0700 1.5390 0.5360 O.3 1 UNL1 -0.4865 18 C -1.2110 1.6810 0.0940 C.3 1 UNL1 0.1036 19 O -3.4730 1.6710 -0.5770 O.2 1 UNL1 -0.2737 20 N -2.8500 3.4750 0.5520 N.am 1 UNL1 -0.2958 21 N -1.2780 0.2190 -0.1560 N.am 1 UNL1 -0.2996 22 C 5.3770 0.2610 1.1040 C.3 1 UNL1 0.1080 23 C -0.2980 -0.5090 0.4670 C.2 1 UNL1 0.2482 24 O 0.6130 0.0440 1.0510 O.2 1 UNL1 -0.2701 25 O 1.7620 -2.1810 1.4680 O.3 1 UNL1 -0.4872 26 C 3.0170 -2.7700 1.1830 C.3 1 UNL1 0.1079 27 C 4.1350 -1.8080 1.4910 C.2 1 UNL1 -0.0479 28 C 4.2570 -0.7010 0.8020 C.2 1 UNL1 -0.0479 29 C -5.3030 3.0860 0.5000 C.1 1 UNL1 0.0883 30 N -6.1600 2.3400 0.5320 N.1 1 UNL1 -0.1943 31 C -0.5440 -4.7490 0.3210 C.ar 1 UNL1 -0.0547 32 C -1.5690 -3.9760 -0.2010 C.ar 1 UNL1 -0.0409 33 C -2.7740 -4.6420 -0.8140 C.3 1 UNL1 0.0092 34 C -2.4390 -5.5480 -2.0120 C.3 1 UNL1 0.0039 35 N -3.4120 -6.5020 -1.4360 N.3 1 UNL1 -0.3147 36 C -3.2070 -5.9280 -0.0880 C.3 1 UNL1 0.0039 37 H -5.3950 5.6020 1.5660 H 1 UNL1 0.0297 38 H -3.5730 5.8880 1.6050 H 1 UNL1 0.0297 39 H 3.0090 1.3620 2.1360 H 1 UNL1 0.0655 40 H 1.8940 2.5350 -2.5190 H 1 UNL1 0.0636 41 H -0.5240 3.3830 -1.0340 H 1 UNL1 0.0336 42 H -0.4820 1.8420 -1.9270 H 1 UNL1 0.0336 43 H -2.2900 -2.0020 -0.5730 H 1 UNL1 0.0629 44 H 1.3580 -4.7600 1.2890 H 1 UNL1 0.0654 45 H -5.3080 5.3970 -0.9610 H 1 UNL1 0.0297 46 H -3.4870 5.6830 -0.9220 H 1 UNL1 0.0297 47 H 0.6620 1.6920 1.4760 H 1 UNL1 0.0621 48 H -0.8010 1.8660 1.0870 H 1 UNL1 0.0598 49 H -2.1460 3.9580 1.0130 H 1 UNL1 0.1503 50 H -1.9600 -0.1880 -0.7130 H 1 UNL1 0.1498 51 H 6.3050 -0.1150 0.6730 H 1 UNL1 0.0742 52 H 5.4900 0.3610 2.1830 H 1 UNL1 0.0742 53 H 3.1410 -3.6690 1.7860 H 1 UNL1 0.0742 54 H 3.0620 -3.0340 0.1260 H 1 UNL1 0.0742 55 H 4.8380 -2.0350 2.2800 H 1 UNL1 0.0603 56 H 3.5510 -0.4790 0.0150 H 1 UNL1 0.0603 57 H -0.6140 -5.8260 0.2870 H 1 UNL1 0.0622 58 H -3.5920 -3.9470 -1.0050 H 1 UNL1 0.0374 59 H -2.7440 -5.1360 -2.9740 H 1 UNL1 0.0430 60 H -1.4120 -5.9130 -2.0130 H 1 UNL1 0.0430 61 H -3.0640 -7.4470 -1.4840 H 1 UNL1 0.1220 62 H -2.4050 -6.4060 0.4750 H 1 UNL1 0.0430 63 H -4.1260 -5.8190 0.4880 H 1 UNL1 0.0430 @BOND 1 30 29 3 2 36 33 1 3 36 35 1 4 19 7 2 5 16 14 1 6 29 2 1 7 33 34 1 8 33 32 1 9 4 14 ar 10 4 5 ar 11 35 34 1 12 6 5 1 13 6 18 1 14 7 18 1 15 7 20 am 16 1 2 1 17 1 12 1 18 2 20 1 19 2 12 1 20 14 13 ar 21 32 9 ar 22 32 31 ar 23 21 18 1 24 21 23 am 25 9 8 ar 26 5 15 ar 27 31 10 ar 28 8 23 1 29 8 11 ar 30 23 24 2 31 13 17 1 32 13 3 ar 33 15 3 ar 34 10 11 ar 35 17 22 1 36 11 25 1 37 27 28 2 38 27 26 1 39 22 28 1 40 25 26 1 41 1 37 1 42 1 38 1 43 3 39 1 44 4 40 1 45 6 41 1 46 6 42 1 47 9 43 1 48 10 44 1 49 12 45 1 50 12 46 1 51 15 47 1 52 18 48 1 53 20 49 1 54 21 50 1 55 22 51 1 56 22 52 1 57 26 53 1 58 26 54 1 59 27 55 1 60 28 56 1 61 31 57 1 62 33 58 1 63 34 59 1 64 34 60 1 65 35 61 1 66 36 62 1 67 36 63 1