@MOLECULE ***** 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3210 1.6620 0.3060 C.ar 1 UNL1 0.0560 2 C 4.1820 0.6080 0.0100 C.ar 1 UNL1 0.0431 3 C 5.3570 0.8900 -0.7120 C.ar 1 UNL1 0.1293 4 N 5.5980 2.1430 -1.0810 N.ar 1 UNL1 -0.1995 5 N 3.6320 2.8820 -0.1030 N.ar 1 UNL1 -0.2189 6 O -8.1880 -0.2690 -2.1840 O.2 1 UNL1 -0.2472 7 C -8.4930 -0.2330 -1.0150 C.2 1 UNL1 0.3427 8 O -9.7760 -0.3890 -0.6520 O.3 1 UNL1 -0.4783 9 C -7.4340 -0.0120 0.0340 C.3 1 UNL1 0.1857 10 O -6.1600 0.1260 -0.5980 O.3 1 UNL1 -0.4807 11 C -5.0890 0.3320 0.2130 C.ar 1 UNL1 0.1248 12 C -3.8230 0.4790 -0.3340 C.ar 1 UNL1 0.0218 13 C -5.2610 0.4000 1.5880 C.ar 1 UNL1 -0.0197 14 C -4.1730 0.6100 2.4120 C.ar 1 UNL1 -0.0549 15 C -2.9100 0.7520 1.8710 C.ar 1 UNL1 -0.0197 16 C -2.7320 0.6900 0.4950 C.ar 1 UNL1 0.1240 17 O -1.4910 0.8340 -0.0380 O.3 1 UNL1 -0.4918 18 C -0.4130 1.0480 0.8770 C.3 1 UNL1 0.0899 19 C 0.8960 1.1870 0.0980 C.3 1 UNL1 -0.0132 20 C 2.0500 1.4160 1.0770 C.3 1 UNL1 -0.0065 21 C 4.7490 3.1140 -0.7760 C.ar 1 UNL1 0.2145 22 N 5.0320 4.4050 -1.1830 N.pl3 1 UNL1 -0.3274 23 N 6.2460 -0.1200 -1.0320 N.pl3 1 UNL1 -0.3425 24 C 3.8700 -0.7750 0.4440 C.ar 1 UNL1 -0.0115 25 C 3.5470 -1.7480 -0.5000 C.ar 1 UNL1 -0.0355 26 C 3.2570 -3.0350 -0.0890 C.ar 1 UNL1 0.0416 27 CL 2.8560 -4.2490 -1.2630 Cl 1 UNL1 -0.0835 28 C 3.2870 -3.3580 1.2560 C.ar 1 UNL1 -0.0434 29 C 3.6050 -2.3940 2.1970 C.ar 1 UNL1 -0.0598 30 C 3.9030 -1.1070 1.7970 C.ar 1 UNL1 -0.0538 31 H -10.4190 -0.5280 -1.3600 H 1 UNL1 0.2952 32 H -7.6610 0.8950 0.5940 H 1 UNL1 0.0815 33 H -7.4130 -0.8640 0.7130 H 1 UNL1 0.0815 34 H -3.6870 0.4310 -1.4040 H 1 UNL1 0.0691 35 H -6.2480 0.2900 2.0140 H 1 UNL1 0.0654 36 H -4.3090 0.6640 3.4830 H 1 UNL1 0.0620 37 H -2.0600 0.9160 2.5170 H 1 UNL1 0.0654 38 H -0.5950 1.9590 1.4460 H 1 UNL1 0.0696 39 H -0.3420 0.2010 1.5590 H 1 UNL1 0.0696 40 H 1.0790 0.2750 -0.4720 H 1 UNL1 0.0302 41 H 0.8250 2.0340 -0.5840 H 1 UNL1 0.0302 42 H 2.1720 0.5350 1.7070 H 1 UNL1 0.0329 43 H 1.8300 2.2810 1.7010 H 1 UNL1 0.0329 44 H 4.4170 5.1250 -0.9740 H 1 UNL1 0.1452 45 H 5.8460 4.5910 -1.6770 H 1 UNL1 0.1452 46 H 6.0620 -1.0330 -0.7590 H 1 UNL1 0.1437 47 H 7.0530 0.0830 -1.5300 H 1 UNL1 0.1437 48 H 3.5240 -1.4970 -1.5500 H 1 UNL1 0.0638 49 H 3.0590 -4.3650 1.5730 H 1 UNL1 0.0632 50 H 3.6260 -2.6510 3.2460 H 1 UNL1 0.0618 51 H 4.1560 -0.3580 2.5330 H 1 UNL1 0.0624 @BOND 1 22 21 1 2 21 5 ar 3 21 4 ar 4 5 1 ar 5 4 3 ar 6 6 7 2 7 19 20 1 8 19 18 1 9 1 20 1 10 1 2 ar 11 8 7 1 12 7 9 1 13 3 2 ar 14 3 23 1 15 17 18 1 16 17 16 1 17 2 24 1 18 12 16 ar 19 12 11 ar 20 16 15 ar 21 9 10 1 22 24 25 ar 23 24 30 ar 24 10 11 1 25 11 13 ar 26 15 14 ar 27 25 26 ar 28 30 29 ar 29 13 14 ar 30 26 27 1 31 26 28 ar 32 29 28 ar 33 8 31 1 34 9 32 1 35 9 33 1 36 12 34 1 37 13 35 1 38 14 36 1 39 15 37 1 40 18 38 1 41 18 39 1 42 19 40 1 43 19 41 1 44 20 42 1 45 20 43 1 46 22 44 1 47 22 45 1 48 23 46 1 49 23 47 1 50 25 48 1 51 28 49 1 52 29 50 1 53 30 51 1