PUBCHEM-ZINC03870443 MOE2007 3D CORINA 3.40 0006 02.08.2006 84 87 0 0 1 0 0 0 0 0999 V2000 2.2560 2.1520 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 1.7410 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 2.3240 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 1.9830 2.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 3.2460 1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 3.6200 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 3.6680 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 3.1870 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 3.6430 -0.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9140 2.7790 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 4.7860 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 4.6460 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 4.6380 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 4.2900 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 4.6620 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 4.8570 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 5.2340 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 5.4290 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 5.8100 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 6.0030 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5420 6.3870 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 6.5800 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9740 6.9640 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3400 7.1570 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3960 7.5380 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8630 8.1930 2.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 -16.4870 9.0600 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2160 7.0570 3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6200 7.2060 4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6600 7.2120 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2940 8.1740 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0430 8.6490 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8330 9.6770 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8260 10.0870 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1760 9.5100 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0990 9.8500 -0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3190 8.5940 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.2540 8.2250 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 1.6700 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 0.9670 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 4.8020 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 5.7600 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 3.7190 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 5.4730 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 5.6410 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0550 4.3770 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 3.3410 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 5.0820 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 3.8750 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 5.5840 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 5.6430 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 3.9340 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 4.4490 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 6.1580 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 6.2120 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 4.5040 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1790 5.0270 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8140 6.7350 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4060 6.7850 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 5.0780 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 5.6050 2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2450 7.3120 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 7.3620 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2050 5.6550 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0430 6.1820 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6770 7.8890 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2700 7.9390 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6360 6.2330 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5150 6.7510 3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1580 8.4890 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1450 6.0800 3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4940 7.0440 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8300 6.3840 5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6850 8.1370 5.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7590 6.2060 2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.6320 7.4790 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8620 10.1550 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7000 10.8560 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 4.1190 0.5730 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0090 3.4520 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 4.9990 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7100 7.7080 2.0420 N 0 3 0 0 0 0 0 0 0 0 0 0 -15.5730 8.3690 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9840 6.8250 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 79 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 79 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 25 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 82 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 26 82 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 78 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 M CHG 1 79 1 M CHG 1 82 1 M END