IBS-ZINC05346895 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 41 0 0 0 0 0 0 0 0999 V2000 1.1630 0.8610 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.4480 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.0770 1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.3430 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 0.9700 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 1.5800 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 1.3880 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 0.3390 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -0.7010 0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -1.6040 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 2.6810 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 3.0190 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 4.4350 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 5.3280 0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 4.5490 0.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 3.3590 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 3.0840 -0.2990 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 2.0030 0.3680 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 5.8410 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 6.9760 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 8.2480 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 8.4170 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 7.2900 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 6.0210 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4340 7.4280 1.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 9.7550 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3850 9.7110 1.4540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5660 1.3290 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.9910 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -2.0960 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 2.5990 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 0.2330 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.4920 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 6.8910 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 9.1070 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 5.2040 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 8.4210 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6840 10.7720 0.3540 O 0 0 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 2 0 0 0 0 M CHG 1 27 -1 M END