ASINEX-ZINC04169252 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.5720 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0530 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4790 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.9290 1.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.7080 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -2.3110 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -4.1770 0.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1150 -4.6530 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -4.0280 1.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.7070 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.3350 2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -4.9010 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.3740 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -7.1760 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -6.5410 -2.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.9760 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 1.9310 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.9730 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.3220 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.3200 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.1200 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.1230 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -4.7880 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -4.4090 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -4.8210 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -6.8600 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -6.4650 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -8.3970 -1.3180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 M CHG 1 28 -1 M END