IFLAB-ZINC04170214 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.0440 1.3470 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.6510 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 0.0750 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 0.1980 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 0.8890 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 1.4640 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -0.4600 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 0.0480 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 -0.5920 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -1.9770 -0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 0.0320 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 1.4870 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 1.7120 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 2.8010 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.4730 -0.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7430 -0.6330 -0.5450 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8590 -1.3090 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 -1.3610 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9420 -2.7580 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 -3.4200 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5170 -2.6600 -4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6100 -1.3140 -4.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -0.6990 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1050 0.2960 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4940 0.4420 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3850 0.1230 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9070 0.1340 3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 1.4060 2.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1430 1.7200 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 1.7890 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 2.3900 -0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 1.7930 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 0.5540 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -0.4660 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.9800 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.9980 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -1.3930 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 1.0220 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -3.3390 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -4.5000 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 -3.1270 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 0.3840 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -0.6820 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6040 1.0630 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 1.3590 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 -0.4140 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -0.8660 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9200 0.8850 3.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1870 -0.0510 4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3670 -0.6500 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5950 2.6920 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6130 0.9780 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 2.5570 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4120 1.9740 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -2.2790 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 0.4540 1.5510 N 0 3 0 0 0 0 0 0 0 0 0 0 13.4090 -0.2800 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END