OTAVA-ZINC00630625 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0590 1.6360 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.1190 0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -0.3540 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.3900 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.9660 1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -0.7720 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -0.1120 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -0.6680 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.8960 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -2.5570 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.9980 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 -2.4940 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7390 -3.6220 -0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0120 -4.0360 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 -5.2170 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9280 -5.4710 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7090 -4.5780 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1520 -3.4190 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 -3.1410 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -1.7700 -1.9620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.2040 1.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.5920 1.4320 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.8140 2.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -1.5640 0.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.8430 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.7650 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 2.8900 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 3.0950 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 2.1730 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 1.0440 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 2.4300 -2.4480 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 2.0040 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8760 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 2.1080 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 0.3200 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 0.8380 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 -0.1540 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -3.5070 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -2.5110 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -5.9240 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3710 -6.3790 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7520 -4.7930 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7600 -2.7240 -2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -0.1900 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.6050 2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 3.6100 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 3.9740 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.3210 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 49 1 0 0 0 0 M END