IFLAB-ZINC04139227 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 0.1090 1.5530 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.0480 -0.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2050 -0.1390 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.4990 -1.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6640 -0.2470 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -1.9960 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -2.8810 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -4.2070 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -4.4000 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -2.8460 -1.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 0.2540 -2.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 0.8220 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 2.0580 -4.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 1.9410 -4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 1.3860 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.6210 1.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.7060 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -0.2290 2.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.3880 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -1.8650 3.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -1.4730 4.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.1410 5.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.6550 6.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -3.3530 7.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.3610 8.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -1.8470 7.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.1490 6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.7580 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 2.0740 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 1.9000 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -2.5840 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -5.0240 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -5.3630 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 0.9380 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -0.7150 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 0.1130 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 0.9930 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.2650 -4.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 2.9230 -4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 1.2410 -2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 2.0880 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -1.0020 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -1.0920 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.9800 5.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -1.8170 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -3.3620 5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -3.7190 8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -4.1920 7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -1.5220 8.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.8580 9.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -1.1400 8.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -2.6850 7.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -0.7830 5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.3100 6.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0970 -2.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END