IBS-ZINC02090626 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.0480 1.6910 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.1540 -0.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8090 -0.4570 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.3420 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -0.9570 2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -0.3400 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.4440 -0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 -1.5080 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -0.5120 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -0.1800 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.0430 -3.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.2320 -1.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 2.0580 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 2.1340 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 2.0840 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.5180 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 0.0040 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.8630 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.7000 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -0.8660 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.6990 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -0.1970 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -1.6000 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 0.2120 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 0.1930 -1.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 0.1600 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -0.1140 -2.9300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 27 -1 M END