OTAVA-ZINC02889907 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.4740 1.7750 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 0.3520 0.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6860 0.4100 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.3360 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -1.7320 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -2.5260 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -1.9240 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -3.0300 1.3810 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -4.3390 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -3.9520 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -4.8610 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -4.5280 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -6.0730 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -7.0070 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -5.5500 0.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -6.0570 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 -5.6100 2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -7.3450 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -7.6040 -0.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7220 -7.7300 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -6.3460 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -6.0790 -1.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -9.0480 -0.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -9.4400 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -10.3070 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -10.6170 -3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -10.0620 -4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -9.2150 -4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -8.9070 -2.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -10.9290 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -10.1570 -0.2730 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.4680 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 2.3740 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 2.2680 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 1.7830 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 0.2750 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -0.4270 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.6270 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -2.2630 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -6.5620 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -7.8550 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -7.3540 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -8.1380 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -7.1920 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -11.2990 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -10.2880 -5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -8.7460 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.3440 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -0.0930 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -12.1880 -1.1860 O 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 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 30 31 1 0 0 0 0 30 50 2 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 1 31 -1 M END