IFLAB-ZINC04991058 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 0.0550 -2.5570 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -1.7240 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -1.9370 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -0.2430 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.0010 2.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7810 -0.6720 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -0.2640 3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 0.6630 4.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.5300 4.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -1.7690 5.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -2.9430 5.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -2.9860 6.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -1.7920 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -0.5570 6.2910 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.3880 2.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 1.7170 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.8500 1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 3.1610 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 3.2580 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 4.7240 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 4.8210 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 4.0240 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 2.5570 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 2.4600 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 1.9860 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 2.7830 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 4.2490 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 2.6860 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.1840 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.5990 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -2.4820 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -2.0330 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.6280 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -1.3430 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -2.9920 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.3600 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.0370 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.2730 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -3.9130 7.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -1.6130 8.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 2.0710 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 3.5680 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 3.7290 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 5.1310 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 5.2920 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 5.8650 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 4.4310 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 4.0930 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 1.9900 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 1.4160 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 2.8680 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 0.9410 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 2.0550 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 2.3750 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 4.3180 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 4.8170 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 3.2540 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 1.6410 -0.3790 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 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END