IBS-ZINC04980907 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.0950 -0.0110 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 0.5100 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 2.0790 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 2.6840 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 4.1600 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 4.7390 3.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 5.3730 4.9850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7160 4.6570 5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 5.8170 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 5.4400 4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 4.7780 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 4.3370 2.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 5.6260 5.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 6.4610 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 6.6360 7.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 6.9590 7.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 6.6350 8.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3830 7.1030 9.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 7.8940 8.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 8.2220 7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 7.7620 6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6560 8.9990 6.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 9.4420 7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 6.5650 4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 7.4050 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 8.4990 3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 8.7550 4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 7.9140 5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 6.8200 5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 8.1640 5.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 9.3110 5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -1.0590 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 0.4710 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 0.0570 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 0.9500 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.5490 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 1.0170 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 2.1680 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 2.6130 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 2.1500 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 2.5950 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 4.6940 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 4.2480 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 7.0970 8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 6.0170 9.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6750 6.8520 10.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1420 8.2570 8.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 8.0200 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4750 8.5780 7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 10.0350 7.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4300 10.0520 6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 7.2060 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 9.1530 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 9.6100 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 6.1660 6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 9.3940 6.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 9.2070 4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 10.2060 5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.6620 2.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 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 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END