CHEMSTAR-ZINC04179367 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 86 0 0 0 0 0 0 0 0999 V2000 6.7430 -0.7640 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -1.9140 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -3.2240 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -1.6460 1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 -2.0210 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 -1.2530 -1.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -2.9700 -1.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -2.9810 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -4.1880 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -4.2030 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -3.0030 -4.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -1.7920 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.7850 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -0.5160 -4.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.5400 -4.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.5240 -5.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 0.6810 -6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 1.8480 -5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 3.0360 -6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 3.0650 -7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 1.8980 -8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 0.7110 -8.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 4.5810 -8.8010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 5.7600 -7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 6.4580 -7.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 7.3810 -6.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 7.6100 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 6.9170 -5.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 5.9970 -6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 8.6000 -4.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4390 9.2110 -4.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 8.8030 -3.7390 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3770 -5.4900 -4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -6.5360 -4.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -5.5030 -5.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -6.7150 -6.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -7.6660 -5.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -8.8600 -6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -9.1100 -7.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -8.1580 -8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -6.9620 -7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -10.6350 -8.3040 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -11.4140 -6.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -11.2650 -6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -11.8780 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -12.6390 -4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -12.7900 -4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -12.1850 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -13.2930 -3.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0540 -13.1610 -3.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -13.9640 -2.8830 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5460 -0.9560 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 0.1690 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -0.6870 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -3.1470 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -4.0430 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 -3.4150 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -0.7130 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -2.4650 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -1.5680 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -3.6450 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -5.1180 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -3.0110 -5.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.8470 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -1.3650 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8250 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 3.9420 -6.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.9200 -9.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -0.1950 -8.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 6.2790 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 7.9230 -5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 7.0990 -5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 5.4600 -7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -4.6740 -6.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -7.4710 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -9.6000 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -8.3530 -9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -6.2200 -8.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -10.6700 -7.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -11.7620 -5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -13.3850 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -12.3070 -6.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 3 57 1 0 0 0 0 4 58 1 0 0 0 0 4 59 1 0 0 0 0 4 60 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 61 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 62 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 63 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 64 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 65 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 66 1 0 0 0 0 19 20 1 0 0 0 0 19 67 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 23 24 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 70 1 0 0 0 0 26 27 1 0 0 0 0 26 71 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 75 1 0 0 0 0 38 39 1 0 0 0 0 38 76 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 48 2 0 0 0 0 44 45 2 0 0 0 0 44 79 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 46 47 2 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 30 1 M CHG 1 32 -1 M CHG 1 49 1 M CHG 1 51 -1 M END