IBS-ZINC04772813 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -0.0390 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 1.4910 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 3.4640 1.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1680 3.8890 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 3.9570 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 5.6580 2.0330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 6.5170 0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 6.0200 2.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 5.2310 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 3.9180 2.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4660 4.0610 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 2.8990 3.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.9770 -0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8350 -2.4000 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -2.4320 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -3.9580 -1.8150 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -5.0710 -1.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -3.7390 -3.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -3.9620 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -2.4700 0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4780 -1.8950 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -2.3460 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9040 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8880 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.3560 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -0.3650 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.4000 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -0.4170 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 1.8520 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 1.8430 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 3.3450 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 3.9770 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 5.0850 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 6.0140 3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 3.1120 4.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -1.6680 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -2.6430 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -4.2890 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -4.5880 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 -2.6410 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.5100 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.9980 1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 44 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 43 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 44 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 42 1 0 0 0 0 M END