IBS-ZINC04682436 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.6440 1.2910 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -0.1850 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -1.0120 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -2.3940 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -3.0030 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.1620 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -0.7780 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 0.1650 2.2640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -4.4180 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -5.1200 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -4.7360 2.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -6.5340 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -6.6950 -0.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2590 -7.2980 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -5.2650 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -4.9870 -1.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -7.6670 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -8.1970 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -7.3680 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -7.8280 -4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -9.1210 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -9.9620 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -9.4970 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -9.6930 -4.2950 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 -10.5990 -3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8590 -8.4520 -4.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 -10.3950 -5.7070 N 0 5 0 0 0 0 0 0 0 0 0 0 -5.3230 -11.2000 -5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 1.6060 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 1.8510 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.5630 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.5940 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.9680 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.5530 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -6.6340 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -7.2390 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -8.4420 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -6.8180 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -6.3530 -3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 -7.1800 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -10.9610 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -10.1400 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -7.2880 -1.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -6.6750 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 27 -1 M END