IBS-ZINC02290534 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 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 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1400 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4810 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -1.8660 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.6290 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -2.0030 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -3.9860 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -4.7050 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -2.4980 4.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.8620 5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.4640 6.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -3.4680 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -2.8390 4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 -2.7050 3.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -3.1460 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.0070 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 -3.4580 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -4.0600 4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -4.2120 5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 -3.7580 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -3.8940 5.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -3.9870 7.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -5.1480 7.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -3.1860 8.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -3.7110 10.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -2.6060 11.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6520 -2.1780 10.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -3.1590 12.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 -2.0040 13.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -0.8880 12.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.5780 10.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.6640 5.6860 N 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 1.1630 1.2180 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.1110 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.5930 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -5.7760 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -4.4570 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -4.4300 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 -2.5430 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 -3.3480 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 -4.4100 4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8440 -4.6810 6.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.2620 8.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -4.0590 10.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -4.5420 10.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -4.0410 12.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -3.3940 12.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.3140 13.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -1.6670 14.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.3570 12.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -0.1960 12.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.2360 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.9530 6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 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 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 23 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END