IBS-ZINC03999016 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 2.4610 1.4130 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 0.0600 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.5950 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.1000 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.4500 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 2.1320 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 3.4640 0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 4.2260 0.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1610 3.6890 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 5.6130 0.9610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2870 6.0560 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 6.3750 0.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2500 6.1540 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 5.8080 -0.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8010 5.7380 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 4.4600 -0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 6.5640 -1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 5.9060 -3.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 4.9530 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 7.7740 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 7.9980 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 5.6570 2.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.9530 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.5880 -0.8100 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2790 -1.7040 -1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -0.0140 -0.3420 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7400 -0.6580 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -0.0250 -0.9920 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4320 1.9040 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.6420 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.9810 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 3.9270 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 6.5720 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 7.5940 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 -1.8410 -1.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 1 0 0 0 0 27 35 2 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 28 -1 M END