IFLAB-ZINC05258500 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.4550 1.8060 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 1.4240 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 3.5180 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 3.7580 1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 5.4730 3.1830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3030 4.6980 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 6.8360 3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 6.7920 4.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 5.7700 4.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 7.8870 5.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 7.8160 5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 8.9160 5.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 8.8440 6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 7.6750 6.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 6.5780 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 6.6470 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 5.3300 7.6610 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2740 4.3630 7.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 5.2700 8.2400 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9810 7.5870 7.8110 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 5.4790 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 5.2790 1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 0.7290 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.2510 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.2380 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.8050 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.3460 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.6380 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 3.9900 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 3.9460 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 3.3310 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 3.2860 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 7.5990 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 7.0760 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 8.7250 4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 9.8280 5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 9.6990 6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 5.7910 6.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 2.0730 0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 5.2030 2.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 5.6340 2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 5.7060 3.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 5.7000 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 39 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 39 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END