IBS-ZINC06764466 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 0 0 0 0 0 0999 V2000 2.0360 1.4010 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 0.0050 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.7320 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.0860 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.3100 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.5280 0.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 4.2060 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 3.6490 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 5.6360 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 6.3200 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 7.7480 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 8.0310 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 6.6380 0.3190 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 9.3960 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 10.4650 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 10.2260 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 8.8730 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 5.5870 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 4.1740 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 3.5390 0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 6.2240 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 6.5400 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 5.9540 -2.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -2.4490 -0.3210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 1.9480 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.4890 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.6550 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.7780 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 9.5910 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 9.4600 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 11.4570 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 10.4510 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 10.2570 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 11.0300 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 8.9590 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 8.6670 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 7.1140 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 5.5610 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 7.3730 -1.4270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 40 -1 M END