IBS-ZINC06645439 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.0450 1.2530 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 1.9070 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.0270 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -0.2740 0.5920 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4980 -1.1290 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 0.7840 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 0.8690 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.7150 -0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 2.6350 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -1.0110 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -1.9140 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -2.8870 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -3.6700 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -3.6130 -3.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -4.6420 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -1.6110 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.4710 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -1.3210 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -2.4750 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -2.9860 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -5.2670 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 -4.0900 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -5.5550 -3.2820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5660 -6.1070 -3.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -6.2000 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -4.9980 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 4 1 M CHG 1 23 1 M END