IFLAB-ZINC03865505 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -3.8340 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -4.1890 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -1.9560 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -1.5140 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -3.8310 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -3.1680 -1.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.4110 -2.0840 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5920 -3.6190 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8070 -2.9110 -2.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 -3.1960 -3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0780 -2.5460 -2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1550 -2.8380 -3.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0260 -3.7760 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8210 -4.4260 -4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7400 -4.1340 -4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1810 -4.0870 -5.6040 N 0 3 0 0 0 0 0 0 0 0 0 0 -15.2440 -3.5160 -5.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0690 -4.9140 -6.4920 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.9080 -3.5470 -0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -4.3300 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -4.1520 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -3.9650 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 -5.2510 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -1.4020 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -1.7580 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 -1.6140 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.4760 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2970 -4.9150 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -3.5420 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -3.4090 -3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 -4.6890 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1790 -1.8140 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0970 -2.3320 -3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7230 -5.1590 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 -4.6380 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -4.4990 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 -3.3980 -0.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 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 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 48 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END