@MOLECULE CDQ 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.4420 -1.0120 -0.4840 C.ar 1 UNL1 0.0414 2 C 3.3650 -1.1230 -1.3460 C.ar 1 UNL1 -0.0416 3 C 2.2470 -0.3340 -1.1700 C.ar 1 UNL1 -0.0386 4 C 2.1950 0.5820 -0.1200 C.ar 1 UNL1 0.0403 5 C 3.2820 0.6830 0.7380 C.ar 1 UNL1 -0.0158 6 C 4.3970 -0.1050 0.5610 C.ar 1 UNL1 -0.0380 7 C 2.9240 1.7440 1.7540 C.3 1 UNL1 0.0514 8 C 1.5370 2.1930 1.3440 C.2 1 UNL1 0.2245 9 O 0.8630 3.0400 1.8910 O.2 1 UNL1 -0.2749 10 N 1.1940 1.4770 0.2600 N.am 1 UNL1 -0.2665 11 C -0.0850 1.6180 -0.4410 C.3 1 UNL1 0.0457 12 C -1.0610 0.5950 0.0820 C.ar 1 UNL1 -0.0120 13 C -0.7170 -0.2020 1.1510 C.ar 1 UNL1 -0.0526 14 C -1.6080 -1.1450 1.6360 C.ar 1 UNL1 -0.0159 15 C -2.8550 -1.2980 1.0500 C.ar 1 UNL1 0.1629 16 C -3.2170 -0.4990 -0.0280 C.ar 1 UNL1 0.1763 17 C -2.3180 0.4590 -0.5150 C.ar 1 UNL1 0.1086 18 C -2.6920 1.3140 -1.6560 C.2 1 UNL1 0.3408 19 O -3.2120 2.5380 -1.4380 O.3 1 UNL1 -0.4770 20 O -2.5330 0.9150 -2.7930 O.2 1 UNL1 -0.2450 21 O -4.4370 -0.6270 -0.6110 O.3 1 UNL1 -0.4841 22 C -5.1560 -1.8350 -0.3410 C.3 1 UNL1 0.1237 23 C -5.0880 -2.1070 1.1680 C.3 1 UNL1 0.1237 24 O -3.7110 -2.2360 1.5390 O.3 1 UNL1 -0.4849 25 CL 5.8420 -2.0140 -0.7070 Cl 1 UNL1 -0.0835 26 H 3.3990 -1.8310 -2.1610 H 1 UNL1 0.0633 27 H 1.4110 -0.4250 -1.8470 H 1 UNL1 0.0637 28 H 5.2350 -0.0150 1.2370 H 1 UNL1 0.0635 29 H 2.9070 1.3210 2.7580 H 1 UNL1 0.0408 30 H 3.6260 2.5760 1.7000 H 1 UNL1 0.0408 31 H -0.4830 2.6190 -0.2720 H 1 UNL1 0.0518 32 H 0.0670 1.4630 -1.5090 H 1 UNL1 0.0518 33 H 0.2530 -0.0910 1.6130 H 1 UNL1 0.0622 34 H -1.3290 -1.7650 2.4750 H 1 UNL1 0.0655 35 H -3.3730 3.0910 -2.2150 H 1 UNL1 0.2954 36 H -6.1960 -1.7200 -0.6470 H 1 UNL1 0.0731 37 H -4.7020 -2.6630 -0.8850 H 1 UNL1 0.0731 38 H -5.5380 -1.2760 1.7120 H 1 UNL1 0.0731 39 H -5.6200 -3.0290 1.4000 H 1 UNL1 0.0731 @BOND 1 25 1 1 2 6 1 ar 3 1 2 ar 4 2 3 ar 5 2 26 1 6 4 3 ar 7 3 27 1 8 5 4 ar 9 4 10 1 10 6 5 ar 11 5 7 1 12 6 28 1 13 7 8 1 14 7 29 1 15 7 30 1 16 8 9 2 17 8 10 am 18 10 11 1 19 12 11 1 20 11 31 1 21 11 32 1 22 13 12 ar 23 12 17 ar 24 14 13 ar 25 13 33 1 26 14 15 ar 27 14 34 1 28 24 15 1 29 15 16 ar 30 16 17 ar 31 16 21 1 32 17 18 1 33 20 18 2 34 18 19 1 35 19 35 1 36 22 21 1 37 23 22 1 38 22 36 1 39 22 37 1 40 24 23 1 41 23 38 1 42 23 39 1