IBS-ZINC04062041 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.2580 1.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0980 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5620 -0.1660 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -0.4980 1.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0860 -1.4560 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -0.7820 2.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9240 0.1310 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -1.1360 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -1.7690 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.5980 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.9170 3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -2.0730 4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -1.0450 4.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 0.3990 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.1660 2.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 0.3330 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 2.1570 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 1.9180 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.9140 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -0.7050 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.8710 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.7550 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 0.6290 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.0160 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 -0.6830 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -3.2220 4.7800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M CHG 1 26 -1 M END