PUBCHEM-ZINC04470659 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0800 -0.1570 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -1.3260 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -1.3030 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -0.1570 1.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.5220 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.2790 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -2.0610 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -0.7560 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 0.2170 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.8470 -0.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 0.1440 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 1.4530 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 2.3750 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 2.0100 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 0.7070 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 -0.2420 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -1.6580 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 -2.4570 0.2950 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9020 3.9880 -1.5610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 0.1480 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -2.1040 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 1.4510 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -3.2890 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -2.8960 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -1.7580 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 1.7710 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 2.7280 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7990 0.4210 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 -1.9400 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 2 0 0 0 0 M CHG 1 18 -1 M END