PUBCHEM-ZINC06546213 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.8400 1.1830 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -0.3060 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.8490 1.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -2.1530 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -2.8190 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -2.7880 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -4.2140 2.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -4.6870 2.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5050 -5.7640 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -4.0000 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -4.7360 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -4.1080 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -2.7400 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -2.0040 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -2.6340 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1250 -2.6520 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -4.3700 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -3.8040 4.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -4.7140 3.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -4.4060 4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 -4.3040 3.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 -3.9820 4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 -5.0930 5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 -5.1950 6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 -5.5170 5.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -5.0920 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -6.2710 2.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -4.6250 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -5.4170 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -4.5800 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 -3.2920 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -3.3210 3.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -2.5510 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -2.0840 4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -2.1910 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -1.0600 4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 0.1780 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 0.2910 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -0.8320 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 1.7090 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 1.5910 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 1.3100 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -0.8310 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.4330 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -2.3050 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -2.6670 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -5.8030 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -4.6830 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -0.9380 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -2.0590 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -5.1660 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 -3.4570 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5020 -5.2520 2.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -3.5120 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2980 -3.9090 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -3.0330 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 -6.0410 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1030 -4.8630 6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 -5.9860 6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 -4.2460 6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -5.5890 5.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -6.4650 4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -6.4880 4.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -4.8850 4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.1570 4.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 -1.1410 5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 1.0600 4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 1.2600 3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.7420 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 43 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 50 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 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 31 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 M END