CHEMSTAR-ZINC04065533 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 -6.8490 -1.5300 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -3.5460 5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 -2.4720 4.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2950 -2.7260 3.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4440 -2.1550 5.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8890 -2.1370 5.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5160 -1.7630 6.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7600 -0.4350 6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3350 -0.0920 7.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6670 -1.0770 8.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4250 -2.4050 8.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8540 -2.7480 7.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2820 -0.7100 10.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.4960 0.4600 10.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5750 -1.5780 10.9960 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 -5.7010 -3.5750 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -3.2720 6.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -4.5290 5.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1720 -1.4060 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2380 -3.1250 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5000 0.3340 6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5240 0.9450 8.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6840 -3.1740 9.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6670 -3.7860 7.1540 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