OTAVA-ZINC05374852 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -1.0070 0.2750 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.5200 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -0.9510 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 0.2320 1.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0120 -0.3610 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 1.6390 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 2.6020 1.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 0.3710 2.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.6470 3.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.8110 3.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.1900 4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -1.1950 6.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -1.1450 6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -0.3110 6.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.2520 7.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -2.4270 8.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -3.4910 9.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -4.6110 9.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -5.6370 10.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -5.5460 11.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -4.4290 11.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -3.4030 10.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -3.2000 7.5860 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -2.2160 6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.5440 5.4230 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 1.1860 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -0.3280 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 0.5610 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.4420 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.0980 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -1.4970 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -1.6170 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 1.3340 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.7570 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -0.0230 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -1.7550 8.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -4.6980 8.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -6.5080 10.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -6.3460 12.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.3600 12.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -2.5390 11.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 1.6560 0.1710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 42 -1 M END