PUBCHEM-ZINC04232230 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 0 0 0 0 0 0999 V2000 1.4370 0.4820 -2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.1090 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -0.6680 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.0170 -0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -1.7150 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -2.0850 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -2.7940 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -3.1380 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -2.7640 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.0510 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -3.9000 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1180 -3.6590 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -4.5920 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4870 -5.3580 -1.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -4.9170 -1.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -6.4260 -1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 -7.1450 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -8.1980 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3700 -8.5360 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0450 -7.8220 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4220 -6.7720 -1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 -2.6140 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -1.7290 1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5310 -0.7360 2.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 0.1830 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 0.1500 1.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 1.2280 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 2.1820 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 3.1560 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 3.1920 5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 2.2430 5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 1.2700 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 4.1770 6.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6740 4.9930 6.4330 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6950 4.0050 6.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4990 5.9760 7.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8970 5.8690 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6510 5.3120 3.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8260 5.9980 2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 7.2430 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4920 7.8000 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3230 7.1150 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4660 8.1050 1.0560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.0360 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -0.4250 -3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.1020 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -0.5110 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 1.0160 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.0480 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -1.5750 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -1.8190 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -3.0820 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -3.0290 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -1.7570 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0400 -4.6960 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 -6.8810 -3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5470 -8.7570 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8580 -9.3600 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0590 -8.0890 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 -6.2180 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1960 -2.5850 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -0.7100 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.1540 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 3.8930 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 2.2730 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 0.5370 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 4.3870 6.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 4.3400 4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4150 5.5630 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 8.7710 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 7.5510 5.5480 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 47 1 0 0 0 0 2 48 1 0 0 0 0 3 4 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 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 52 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 19 20 2 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 21 60 1 0 0 0 0 22 23 2 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 41 2 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 M END