PUBCHEM-ZINC03872922 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 69 0 0 1 0 0 0 0 0999 V2000 0.5440 -0.4690 -2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.0870 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 1.3930 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.4300 -0.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0800 -0.0480 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -1.9470 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -2.5310 -1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -2.5760 0.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -4.0010 1.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8290 -4.2830 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -4.8320 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -4.2100 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -3.4900 3.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -5.2830 3.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -5.6640 4.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4970 -4.8050 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -6.8970 4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -6.7710 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -6.8400 4.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -5.9700 4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -6.8060 4.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -5.1640 6.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -5.6000 6.5020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 0.1000 -0.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.3060 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 2.0780 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 1.5550 -1.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6100 1.3380 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 0.5910 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 0.4580 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -0.4950 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -0.6140 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 0.2250 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 1.1750 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 1.2920 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 0.1410 -5.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5340 -0.5610 -6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 2.9740 -1.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 3.6460 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3820 3.1360 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 5.1050 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -0.2500 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -1.5380 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 0.0870 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -0.6610 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 2.0380 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 1.6890 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 1.5890 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -2.0580 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -4.5630 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -5.9000 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -4.6780 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -5.8330 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -7.8090 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -7.0360 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -4.0990 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -5.3600 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -0.4930 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -0.4120 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 0.8810 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -1.1590 -3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -1.3610 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0050 1.8200 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 2.0350 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 3.4930 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0030 5.2140 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 5.6440 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 5.5390 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -6.6040 2.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 2 0 0 0 0 18 69 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 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 29 1 0 0 0 0 27 38 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 M CHG 1 69 -1 M END