IFLAB-ZINC04518791 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1380 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.4860 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8710 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.6330 2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0090 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.7520 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.1730 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.5020 4.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -1.8640 5.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -2.8740 6.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -2.5010 7.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -1.2010 7.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -0.2830 6.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5990 5.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 1.1490 7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 1.5210 8.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 2.8710 8.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 3.7990 7.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 3.4170 6.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 2.1450 6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -3.5250 8.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -4.7050 7.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -3.1480 9.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -4.0830 5.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -4.9610 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -3.8320 4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.6800 3.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.2160 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1060 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -3.7110 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -4.4700 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -4.4880 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -4.6450 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 0.7750 8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 3.1950 9.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 4.8520 7.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 1.8720 5.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -2.2060 9.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 -3.8190 9.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 M END