IFLAB-ZINC04138269 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 0.0430 1.4190 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.0230 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.6310 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 0.0580 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 1.4660 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.1460 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 3.6490 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 4.2400 1.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 5.6010 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 6.3880 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 6.0020 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 7.4970 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 7.9270 4.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 7.0110 5.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -0.9200 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -2.1580 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -1.9770 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -2.7120 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.4730 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -3.3070 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 -2.0480 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -0.7560 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.9460 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -0.5270 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 2.0190 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 4.0400 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 3.9840 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 3.6420 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 5.4450 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 5.6830 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 8.0490 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 7.8130 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -3.8460 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -4.2110 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -4.1980 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -3.2370 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -2.1360 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 -1.9870 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -0.5120 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 0.0750 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 9.1700 4.7960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 41 -1 M END