IFLAB-ZINC04568873 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.4300 1.5320 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 0.1020 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.2600 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -1.5760 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.5540 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.2030 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.8790 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.5330 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -3.9350 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -4.1530 2.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -4.9660 0.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -6.3710 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -6.9610 1.9810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0810 -6.5240 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -8.4750 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -9.3220 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -10.7140 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -11.2390 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -10.4330 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -9.0590 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -11.1450 3.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -12.4940 2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -12.5590 2.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -7.0640 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -6.3120 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -5.6940 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -6.4210 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -5.5890 6.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 1.9610 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.5930 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 2.1520 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.4870 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -1.8270 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -2.9410 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 0.1970 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.4150 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.1260 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -4.7510 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -6.9170 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -6.4700 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -8.9100 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -11.3630 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -8.4590 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -13.0500 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -12.9700 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -6.9970 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -8.1140 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -6.8140 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -5.2880 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -4.6330 5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -5.7430 6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -7.4590 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -5.8960 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -4.5400 6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 -6.0700 6.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -5.6210 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -6.4400 3.1750 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9170 -5.4270 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -6.3010 5.7640 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 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 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 57 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 57 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 59 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 57 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 59 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END