CHEMSTAR-ZINC04065529 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 79 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -3.2160 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -2.3710 1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.8880 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 -2.5090 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 -1.8700 3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 -2.8810 2.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2250 -2.5120 4.2780 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4260 -2.5310 5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 -1.1040 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2990 -3.4930 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5850 -4.4060 3.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -3.3520 5.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9610 -4.3330 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5640 -4.0160 7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6640 -3.1830 7.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2180 -2.8920 8.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6710 -3.4340 9.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5710 -4.2680 9.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0210 -4.5620 8.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2630 -3.1220 11.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.2320 -2.3870 11.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7810 -3.5990 12.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -2.5240 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -2.3080 -0.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -2.9040 -2.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6340 -3.8860 -3.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.8700 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -2.9420 -2.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -3.7090 -3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -4.3680 -4.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -3.7440 -3.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -4.5920 -4.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -4.1250 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -4.5030 -4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -6.0400 -4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -1.8700 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 -2.4620 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -3.9740 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -3.3920 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2220 -0.8300 5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0450 -0.3950 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6210 -1.0860 3.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7390 -4.3050 5.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5140 -5.3270 6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0910 -2.7600 6.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0770 -2.2410 8.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 -4.6910 10.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 -5.2160 8.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.6000 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -2.1440 -4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.8410 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.8870 -3.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9430 -2.4160 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -3.0930 -6.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -4.7610 -6.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -4.1880 -6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -4.8350 -3.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -5.1390 -5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -3.4710 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -6.1030 -4.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -6.6760 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -6.3720 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 47 1 0 0 0 0 3 48 1 0 0 0 0 3 49 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END