IBS-ZINC00100726 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.5330 1.4380 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.0900 -0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9070 -0.5140 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.5770 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.1060 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.5760 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -1.9910 -0.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -0.5360 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -2.7890 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.3920 -2.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -3.2650 -2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.9420 -3.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -4.6640 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -5.7760 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -7.1050 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -7.2690 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -8.5200 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -9.6180 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -9.4730 -2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -8.2220 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -8.0770 -3.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -9.2570 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -4.5530 -0.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 1.7550 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 1.7850 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 1.8610 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -0.2400 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -0.1720 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -2.5120 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.4540 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -3.6630 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -2.2470 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.0410 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -0.2780 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -5.6820 -3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -6.4150 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -8.6450 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -10.5950 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -10.3350 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -9.9770 -4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -9.6920 -2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 -9.0010 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 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 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END