IBS-ZINC06660785 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.2710 1.7580 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 0.2300 -0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6950 -0.1460 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.2020 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.8910 0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 0.1770 -1.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.2430 -1.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5480 -1.2400 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -0.2580 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 -0.3800 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 0.7750 -1.0590 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 2.0690 -1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 0.1710 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 0.7530 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -0.3070 1.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -1.1180 1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.4510 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -1.5870 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.4180 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -2.6460 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -3.7840 4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.9890 5.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -3.0740 6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -1.9460 6.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -1.7220 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.8160 3.5530 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 0.0230 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.0580 2.7500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 2.0700 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 2.1580 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 2.1340 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 0.7280 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 0.6690 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -1.1120 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -0.0610 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -1.3980 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 0.4100 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 1.7450 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -2.9120 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -4.4990 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.8670 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -3.2410 7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -1.2360 6.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.8390 4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 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 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 26 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 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END