CHEMDIV-ZINC04529336 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0290 1.5270 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.0070 0.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9530 -0.3810 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -0.6090 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -0.6420 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -0.8020 1.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.5040 -0.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8770 -1.4210 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.5190 -1.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6450 -1.5850 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 0.1330 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -0.1070 -2.8320 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5460 0.8590 -2.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.2550 -3.1820 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2300 0.7230 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 0.7680 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -0.3050 -2.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 1.9930 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.9980 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.7750 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.0210 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.6390 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 1.2140 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.3240 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 1.6450 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 0.7720 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 1.8970 -2.6610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 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 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 27 -1 M END