IBS-ZINC02241210 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.3410 1.3820 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0760 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.8200 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -2.1820 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.8130 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -2.0870 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.7290 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 0.1050 -2.7910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.7660 2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -4.1580 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -4.6810 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -3.9070 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -6.0010 4.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -6.7020 5.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -8.0380 5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -8.8560 4.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -10.1140 4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -11.3870 4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -12.4650 5.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -12.2570 6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -11.0920 7.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -10.0550 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -8.7210 6.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -8.1830 7.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7780 -8.9110 8.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -7.8150 8.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9110 -7.7630 7.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -6.3600 8.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4140 -5.6580 8.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -6.2060 8.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0070 -6.6440 9.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -6.9630 7.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -4.7640 8.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -4.7320 8.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -5.4690 8.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -6.1640 10.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -7.1180 10.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -8.5640 9.4930 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2960 -11.5930 2.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.9910 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.5740 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 1.7120 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.3410 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -3.8640 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.5910 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -4.7360 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -4.3140 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -4.2880 5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -2.8790 4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -6.5340 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -6.2080 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -13.1450 6.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.3130 7.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -4.1530 9.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -10.8030 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -12.5400 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 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 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 39 55 1 0 0 0 0 39 56 1 0 0 0 0 M CHG 1 38 -1 M END