IFLAB-ZINC04032883 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 0.6250 -0.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1500 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.4500 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -1.8470 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -2.5190 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -3.8760 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -4.6110 3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -5.8290 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.0030 2.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -4.5400 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -2.6280 2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -2.0000 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -4.5990 5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -4.9740 6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -5.6770 7.5920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -6.1060 8.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -5.9090 8.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -6.8150 9.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -7.0420 9.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 -7.7030 10.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -8.1460 11.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -7.9230 11.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -7.2550 10.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -8.4500 13.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -8.6340 13.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -8.8130 12.9730 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 1.1590 1.2280 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.1520 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -1.9480 5.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.5880 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -5.5040 5.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -3.9510 5.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -4.0700 6.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -5.6230 6.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -5.8340 7.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -6.6990 8.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -7.8780 10.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -7.0770 10.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -7.7510 14.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -9.5200 14.5220 H 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 3 4 1 0 0 0 0 3 14 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 15 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 13 1 0 0 0 0 13 14 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END