@MOLECULE CCZ 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 P -1.0970 -0.2700 0.4480 P.3 1 UNL1 0.3834 2 C 5.3630 0.2880 -0.7450 C.2 1 UNL1 0.3081 3 N 5.9760 -0.6890 -1.3490 N.2 1 UNL1 -0.0994 4 C 4.0380 0.0590 -0.1230 C.ar 1 UNL1 0.0647 5 N 5.9460 1.5350 -0.6840 N.pl3 1 UNL1 -0.2466 6 C 3.3770 1.1050 0.5200 C.ar 1 UNL1 -0.0466 7 C 2.1430 0.8860 1.0980 C.ar 1 UNL1 -0.0572 8 C 1.5610 -0.3680 1.0390 C.ar 1 UNL1 -0.0348 9 C 2.2130 -1.4090 0.4030 C.ar 1 UNL1 -0.0572 10 C 3.4450 -1.2010 -0.1830 C.ar 1 UNL1 -0.0466 11 C 0.2130 -0.6000 1.6720 C.3 1 UNL1 0.0858 12 C -3.5800 -0.0560 0.3540 C.ar 1 UNL1 0.1299 13 C -4.0250 1.2580 0.3030 C.ar 1 UNL1 -0.0195 14 C -5.0850 1.5950 -0.5160 C.ar 1 UNL1 -0.0583 15 C -5.7030 0.6260 -1.2840 C.ar 1 UNL1 -0.0615 16 C -5.2610 -0.6830 -1.2350 C.ar 1 UNL1 -0.0583 17 C -4.1970 -1.0250 -0.4230 C.ar 1 UNL1 -0.0195 18 O -0.9290 1.0960 -0.0980 O.2 1 UNL1 -0.2439 19 O -2.5370 -0.3900 1.1580 O.3 1 UNL1 -0.4237 20 O -0.9970 -1.3420 -0.7480 O.3 1 UNL1 -0.3149 21 H 6.8430 -0.5390 -1.7560 H 1 UNL1 0.3633 22 H 6.8140 1.6840 -1.0910 H 1 UNL1 0.2884 23 H 5.4900 2.2620 -0.2340 H 1 UNL1 0.2884 24 H 3.8290 2.0850 0.5670 H 1 UNL1 0.0626 25 H 1.6300 1.6950 1.5960 H 1 UNL1 0.0621 26 H 1.7540 -2.3860 0.3610 H 1 UNL1 0.0621 27 H 3.9500 -2.0140 -0.6830 H 1 UNL1 0.0626 28 H 0.0920 0.0680 2.5240 H 1 UNL1 0.0447 29 H 0.1440 -1.6350 2.0080 H 1 UNL1 0.0447 30 H -3.5430 2.0150 0.9040 H 1 UNL1 0.0654 31 H -5.4320 2.6170 -0.5550 H 1 UNL1 0.0619 32 H -6.5320 0.8920 -1.9230 H 1 UNL1 0.0618 33 H -5.7450 -1.4390 -1.8360 H 1 UNL1 0.0619 34 H -3.8500 -2.0470 -0.3890 H 1 UNL1 0.0654 35 H -1.0990 -2.2600 -0.4630 H 1 UNL1 0.2208 @BOND 1 19 1 1 2 11 1 1 3 1 20 1 4 1 18 2 5 4 2 1 6 3 2 2 7 2 5 1 8 3 21 1 9 6 4 ar 10 4 10 ar 11 5 22 1 12 5 23 1 13 7 6 ar 14 6 24 1 15 7 8 ar 16 7 25 1 17 11 8 1 18 8 9 ar 19 9 10 ar 20 9 26 1 21 10 27 1 22 11 28 1 23 11 29 1 24 13 12 ar 25 12 19 1 26 12 17 ar 27 14 13 ar 28 13 30 1 29 14 15 ar 30 14 31 1 31 15 16 ar 32 15 32 1 33 16 17 ar 34 16 33 1 35 17 34 1 36 20 35 1