IBS-ZINC05164074 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.4360 1.1030 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.2580 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.7130 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 0.0430 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.5330 3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -1.8890 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -2.6220 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -2.0650 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -3.9040 2.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -4.6530 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -4.0200 3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -2.7770 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -2.5240 5.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -3.5960 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -4.8300 5.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -5.0910 4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -6.3550 3.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -7.4820 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -8.6610 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -7.8090 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -6.6430 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -10.2490 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -10.9350 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -10.7990 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -11.3590 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 1.7750 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 1.3020 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.2970 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 1.0910 2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.0620 4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -2.6550 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -3.4560 7.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -7.7950 4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -7.2200 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -9.5490 4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -8.4170 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -7.5430 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -8.1110 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -5.7790 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -6.9170 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -9.9690 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -10.9070 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 -11.9950 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -10.4540 0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -9.0120 2.7890 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0170 -9.3170 2.8500 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 45 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END