NCID-ZINC04538852 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 55 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 0.6770 -0.4970 1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.6830 1.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1940 -2.4570 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -2.2750 2.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2450 -1.4900 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -2.9320 2.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -2.2740 1.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2640 -1.9420 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -1.1010 1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6260 -0.3010 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -0.5170 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -3.1830 0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -4.2540 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.8400 -0.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -4.1830 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -3.1150 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 -2.3100 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -2.5090 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -3.4990 -2.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -4.3510 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -5.6710 -3.4050 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -5.3590 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -6.3960 -5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -7.5750 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -8.5270 -6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -8.2990 -7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -7.1200 -7.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -6.1660 -6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -3.2910 3.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -3.7450 4.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5060 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -4.5710 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -1.8360 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -5.4130 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -4.3680 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -7.7530 -4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -9.4480 -6.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -9.0430 -8.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -6.9420 -8.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -5.2440 -6.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -4.1390 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -2.8200 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -4.3930 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.1210 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -1.5950 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -0.1580 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 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 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 32 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M END