IBS-ZINC05156820 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.5370 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 3.0020 3.6610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 3.4710 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 3.0240 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 3.4480 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 2.5640 5.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 2.9570 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 4.3150 7.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 5.2140 6.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 4.7480 4.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 6.5760 6.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 7.5130 5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 8.9430 5.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 9.2780 6.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 4.7930 8.2280 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8820 5.0650 9.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 4.9140 8.2310 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0340 2.0250 7.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 1.5140 2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.0030 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.0920 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.2160 4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 3.0470 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 4.5590 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 3.3460 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 3.4700 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 6.9080 7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 7.4170 5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 7.2890 4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 9.6330 4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 9.0170 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 10.1730 7.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 1.0800 7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 2.3180 8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END