IBS-ZINC04870414 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6590 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0350 2.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.6450 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -1.8610 3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.0870 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.6300 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.0790 7.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4900 7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 2.1650 8.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 2.0820 5.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 3.0510 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 1.4010 4.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1310 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.8080 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.1060 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.7220 -3.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0330 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.9660 -5.1930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.0050 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.7100 6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.4210 8.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -2.6800 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.8880 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.1800 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 1.0470 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END