IBS-ZINC05450946 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.9280 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -2.2690 2.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2920 -1.7880 3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -3.7620 3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -4.3650 3.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -1.7910 2.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -1.5100 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -1.6530 5.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -1.0180 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -0.7800 5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 0.3880 5.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 0.2180 7.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 0.9190 7.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -1.0970 7.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 -1.7810 6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -3.1480 5.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3270 -3.8160 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 -3.1460 8.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -1.7960 8.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.0240 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.0010 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.3610 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.3350 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -1.6760 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -1.7660 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -0.0860 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 1.3230 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -3.6750 5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 -4.8740 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1720 -3.6880 8.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -1.2840 9.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -4.4230 3.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -5.3800 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 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 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 38 39 1 0 0 0 0 M END