OTAVA-ZINC05284595 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.3790 1.3310 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -0.1940 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -0.6860 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.8080 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -2.3240 -0.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9150 -2.7320 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 -2.9420 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -3.5720 -0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.6290 -1.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -3.3040 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -3.6970 -0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -3.5440 -2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -4.2010 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -4.4840 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -4.7520 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -5.0160 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -5.0160 -7.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -4.7510 -6.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -4.4910 -5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -4.7520 -7.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1070 -4.9870 -9.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -4.5190 -7.4660 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.7760 -3.8950 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -2.2300 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -1.3570 -2.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 1.7680 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 1.6820 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.6300 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -0.4930 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.7730 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.2490 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.3870 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.5830 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.3900 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -4.5170 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -4.7530 -4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -5.2230 -6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.2230 -8.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -4.2890 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -2.7930 1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -3.2070 1.1600 H 0 0 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END