PUBCHEM-ZINC00597051 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.5340 1.4180 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 1.1340 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 3.0660 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 3.4980 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 4.9800 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 5.3940 -1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 5.4500 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 5.1640 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 5.3120 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 5.7470 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 6.0360 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 5.8900 -2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 6.1040 -3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 5.7860 -2.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 5.9150 -2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 5.6140 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 5.7510 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 6.1870 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 6.4880 -4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 6.3590 -4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 6.6500 -4.8940 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2960 6.5320 -4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 7.0920 -6.2350 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9540 6.3510 -4.8470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.2210 5.8890 -1.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 5.5720 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 0.3500 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 1.9320 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.8050 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 1.6940 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 0.0780 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 1.2500 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 3.6590 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 3.2220 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 3.3430 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 2.9060 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 5.1350 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 5.5730 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 4.8250 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 5.0880 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3920 6.3740 -3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 5.2760 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 5.5190 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 6.8250 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 6.7800 -4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9150 4.5300 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8130 6.2180 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 5.7280 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 1.6440 0.8980 N 0 0 0 0 0 0 0 0 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 1 49 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END