IBS-ZINC05156315 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -1.5480 1.0080 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -0.2400 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.6980 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.8420 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.5320 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.9280 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7710 -2.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -4.1510 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -4.8040 -1.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -6.1290 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -6.8280 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -6.1080 -3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.7830 -3.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -6.7610 -4.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -5.9940 -6.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -6.9340 -7.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -7.5210 -7.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -8.3150 -8.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -8.1650 -8.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -7.3230 -7.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -8.3020 -2.4510 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4870 -9.0020 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -8.8150 -2.4190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2930 -6.8040 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.8770 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.9400 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 1.1100 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.1600 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -2.1970 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -3.4260 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.5720 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -2.2880 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -7.7270 -4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -5.4460 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 -5.2890 -6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -7.4080 -7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -8.9250 -9.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -8.6390 -9.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -6.3110 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -7.7700 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END