IBS-ZINC02219974 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.8430 -3.2880 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -2.1750 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -1.2030 -0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.4180 0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -1.8030 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -2.9730 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -3.2350 4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.3360 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -1.1590 3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.9030 2.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -2.6530 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -3.1850 6.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -2.3260 6.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -2.4640 7.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -3.2100 8.8000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -1.8250 7.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -2.0850 7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -1.0890 7.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4130 -1.2820 8.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -2.4810 8.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -3.4960 8.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -3.2860 8.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -4.8160 9.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7010 -4.7960 10.5840 O 0 5 0 0 0 0 0 0 0 0 0 0 -10.4240 -2.6540 9.1250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -2.8800 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -3.8470 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -3.9920 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.5780 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -0.7360 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.3910 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -1.7070 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -3.7070 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -4.1500 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.4140 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 0.0160 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -1.9560 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -1.0310 6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8710 -0.1450 7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1480 -0.4930 7.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -4.1160 8.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 -5.8490 8.7930 O 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 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 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 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 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 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 2 0 0 0 0 M CHG 1 24 -1 M END