IBS-ZINC04747568 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -1.2400 1.9090 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 0.4630 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.0870 -0.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0760 0.5510 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.4950 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -2.0190 -1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.0340 -2.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.9810 -3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 1.8310 -2.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.8890 -4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 1.5540 -5.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.4750 -5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 3.6230 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 4.2040 -6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 3.3760 -5.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 2.3280 -4.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 3.3730 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 2.8590 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 2.8370 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0900 3.3290 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 3.8390 -4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 3.8610 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 4.4710 -6.8340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -0.2620 -4.5100 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -0.7310 -2.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -1.9170 -2.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 2.5600 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 2.0080 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 2.2690 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.4140 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -0.1540 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.3900 -6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 4.0070 -7.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 5.1220 -6.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 2.4710 -2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9640 2.4320 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 3.3110 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 4.2120 -4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.9430 0.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 7 25 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 24 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 39 -1 M END