PUBCHEM-ZINC04652861 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.5150 1.2670 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.1230 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6720 -0.8380 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.2970 1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -1.7250 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -2.1740 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -1.9420 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.5300 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 0.3510 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 1.4910 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -0.1820 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 0.9050 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 1.4910 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 1.2890 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 2.0460 -3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 2.9930 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2870 3.2130 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 2.4510 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 2.4600 1.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 3.0450 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 1.5460 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 1.3760 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 0.5520 2.8930 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.5720 1.8030 -4.7760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 1.4020 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 1.4010 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 2.0610 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -0.0620 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 0.4040 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -2.4090 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.7890 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -3.2350 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -1.6110 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -2.5420 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -2.2780 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -0.8210 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -0.8130 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 0.5590 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0190 3.5730 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9300 3.9520 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 2.0910 3.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 21 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 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 2 0 0 0 0 M CHG 1 23 -1 M END