IBS-ZINC03099910 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.5510 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 0.0320 0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5140 -0.2920 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5380 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -2.0450 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -2.7450 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -2.6180 1.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2840 -2.3240 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.0100 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -4.1400 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 1.9890 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.9410 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.9000 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -0.2420 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.1890 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.2980 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.2750 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -4.5790 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -4.5320 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -4.4870 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.5140 -0.0310 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.1770 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -0.1270 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 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 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M END