IBS-ZINC06660706 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 0.3480 1.7100 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 0.3350 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.5090 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 0.0190 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 1.4240 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 2.2390 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 1.9940 -1.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.1660 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.1990 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.7880 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.9610 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -2.7500 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -4.2050 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -4.7690 1.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -4.7950 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -3.9610 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -4.3440 -1.1160 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -2.3110 -0.4020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -6.2380 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -6.5150 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -8.0030 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -8.7820 1.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 2.3690 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.0800 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 3.3160 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 1.6390 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -0.8650 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -2.3920 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -6.6430 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -6.7270 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -6.1100 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -6.0180 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -8.2720 3.1500 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 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 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 33 -1 M END