PUBCHEM-ZINC03870716 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 0.2710 1.3850 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -0.1290 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.5500 0.0160 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.7140 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -1.1520 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -1.4070 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -1.2430 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.8100 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.6940 2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -1.7840 3.1020 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9260 -1.5140 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -2.7150 2.7570 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3780 -1.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -3.1940 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -3.6350 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 -2.7180 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 -1.3600 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -0.9160 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 0.7900 0.2410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -1.3820 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -2.3580 -3.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -0.3120 -2.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 -0.3420 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 -1.1430 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 1.1020 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -0.5010 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 1.6890 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.7810 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 1.8710 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -0.6150 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5250 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8880 -3.9300 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 -4.6970 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0860 -3.0630 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 -0.6500 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -0.7830 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -0.7150 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -1.1630 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -2.1750 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 1.6750 -4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 1.1610 -5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 1.5950 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -1.4660 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.0190 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.1530 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 0.4680 2.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -0.5010 3.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 46 2 0 0 0 0 11 12 1 0 0 0 0 11 47 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 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 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 3 1 M CHG 1 10 -1 M CHG 1 12 -1 M END