PUBCHEM-ZINC04504804 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 0 0 0 0 0 0999 V2000 -0.5600 1.7900 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 0.6730 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 3.1540 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 3.2700 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 4.7110 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 4.8830 3.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 4.7800 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 6.0510 5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 7.0950 4.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 5.8420 6.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 6.7510 7.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 6.4110 8.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 7.4940 8.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 8.6440 8.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 8.3580 6.7630 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 5.1320 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 5.0730 2.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 5.4590 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 6.6850 5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 6.9710 6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 6.0550 6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 4.8450 5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 4.5400 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 3.7140 6.3350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 8.4680 7.0290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.8030 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 2.0170 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 2.5470 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 0.8870 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -0.2620 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.6100 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 3.8860 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 3.3070 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 2.9540 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 2.6070 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 5.0090 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 5.3900 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 4.5720 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 3.9330 5.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 4.9420 7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 7.3890 9.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 9.6050 8.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 7.4110 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 6.2860 7.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9390 3.6000 4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 1.7870 0.1290 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0500 1.5840 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 46 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 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 40 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 46 1 M END