IBS-ZINC02587106 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.0680 1.5920 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.0930 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.2490 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.6720 0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -2.1920 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -3.5830 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -4.2450 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -3.5250 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -2.1270 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -1.4670 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.2790 5.3880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7660 -5.2980 5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 -4.2760 5.2290 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2880 -5.6250 5.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 -6.0850 5.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 -7.4510 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -7.9380 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -7.0610 3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -5.7000 3.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 -5.2080 4.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -6.3420 6.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -3.2330 6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 -2.6740 6.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -3.0120 7.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -2.3920 8.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -3.6890 6.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -3.8420 7.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -5.0580 8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -5.3700 8.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -6.1070 10.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 2.0690 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8080 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 2.0490 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -0.3700 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.3500 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 0.1800 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 0.1570 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -4.1570 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -5.3300 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -1.5220 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.3840 3.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -8.1480 5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -8.9980 4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8610 -7.4380 3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 -5.0190 3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -4.1380 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -3.9920 4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.9340 7.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -3.9220 6.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -6.0000 7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -5.0030 8.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -6.3190 8.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -4.5430 7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -5.4090 9.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.8230 10.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -7.1020 9.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -6.0620 11.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -5.1080 9.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4030 -4.1880 9.7220 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 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 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 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 58 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 58 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END