IBS-ZINC02264080 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -1.2050 1.0710 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.2790 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.7920 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.1300 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.7310 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.9910 3.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.6430 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.0660 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.7480 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -2.1670 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -0.9580 -0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -3.0530 -2.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -4.3000 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -5.1190 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -4.8610 -4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -6.1350 -3.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -7.1200 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -8.0420 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -9.0550 -5.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -9.1700 -6.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -8.2430 -6.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -7.2280 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -10.2650 -7.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -11.0670 -7.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4550 1.8540 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 1.2890 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 1.1060 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.8590 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.2170 4.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.4730 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -3.6310 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -3.8160 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -4.9610 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -6.1800 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -7.9910 -3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -9.7630 -5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -8.3120 -7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -6.5430 -6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -10.3050 -8.6310 O 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 27 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 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 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 M CHG 1 24 -1 M END