IBS-ZINC04811964 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.1010 1.4950 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.0060 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.8880 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -2.2070 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -3.5030 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -4.6330 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.4780 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.2040 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -2.0810 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.7300 -1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -0.1700 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -5.8240 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -7.0110 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.5830 2.5720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4700 -1.3860 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -0.4170 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 1.1340 4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 1.9230 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 1.0060 7.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 0.1260 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -0.6570 5.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 1.8180 8.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 3.0190 8.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 1.0980 9.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 1.5850 10.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 0.1070 9.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.6230 2.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 1.9450 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 1.8480 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.8630 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.6380 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -5.3340 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -3.1050 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 0.7690 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.8610 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.0030 -2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -7.0890 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -7.0690 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -7.8640 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.2410 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -1.3640 3.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 0.4640 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 1.8150 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 2.6460 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 2.5120 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 0.3650 7.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 0.7470 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.5780 7.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.2010 5.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -1.3650 5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.6000 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.2850 4.4350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6090 0.9190 4.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 12 1 0 0 0 0 7 8 2 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 10 11 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END