NCID-ZINC04715359 MOE2007 3D CORINA 3.40 0006 02.08.2006 83 86 0 0 1 0 0 0 0 0999 V2000 1.0130 0.9290 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.5680 -0.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3070 -1.1350 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -1.5260 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -2.0360 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -2.1670 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.7780 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.2530 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -0.8590 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -1.0230 3.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -0.2930 0.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9760 -0.6130 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -2.1010 0.7580 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7810 -2.5590 -0.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2580 -1.9490 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.2920 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.8080 -0.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2930 -0.2360 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -4.0500 -0.8280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7250 -4.6550 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -4.2030 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -3.4330 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -2.3930 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -1.8920 1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 -3.6250 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6820 -2.6980 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 -4.9350 0.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6480 -5.3580 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3700 -7.7420 0.7970 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6610 -7.3680 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6790 -8.0560 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7720 -7.6510 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -9.0030 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8480 -8.7070 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4620 -10.1540 1.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3740 -10.4370 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9560 -11.3940 0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0860 -11.1360 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -12.5620 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 -13.6860 0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 -13.6690 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 -11.8880 -0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3950 -11.0850 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -9.6720 2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -10.3040 2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6540 -9.4830 -0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8310 -8.7040 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 -5.1930 -1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -6.1130 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -3.9820 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -2.8880 1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 0.2850 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.9360 4.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -1.2320 -1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 1.0740 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 1.3820 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 1.4930 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 -1.4390 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -2.3310 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -2.5690 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -2.9710 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -2.5250 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5910 -5.6350 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0940 -5.2870 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2040 -4.6950 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 -8.6690 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -12.3280 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 -12.8540 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -5.2420 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -6.4580 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -6.5190 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 -6.4080 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.9060 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -4.1970 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -4.4120 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -2.4150 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 0.7980 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.6110 4.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -0.5980 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 -6.7110 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0 29 80 1 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 46 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 44 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 42 1 0 0 0 0 39 40 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 48 69 1 0 0 0 0 49 70 1 0 0 0 0 49 71 1 0 0 0 0 49 72 1 0 0 0 0 49 82 1 0 0 0 0 50 73 1 0 0 0 0 50 74 1 0 0 0 0 50 75 1 0 0 0 0 50 82 1 0 0 0 0 51 76 1 0 0 0 0 53 78 1 0 0 0 0 54 79 1 0 0 0 0 80 81 1 0 0 0 0 82 83 1 0 0 0 0 M CHG 1 82 1 M END