IBS-ZINC05452296 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1390 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8690 3.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6250 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0030 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.1300 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -4.6380 2.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -5.9650 3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -6.7380 2.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -6.4880 3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -8.0150 3.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 -8.5380 4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -9.4590 4.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -9.8860 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -9.6720 5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -10.4790 5.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -10.4580 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -9.6360 7.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -8.8350 7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -8.8400 6.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -8.1800 5.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -2.3570 3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.5950 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -4.5340 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -4.4350 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -4.0200 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.0830 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -6.1830 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -8.4200 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -8.3200 4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -11.1210 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 -11.0860 6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 -9.6300 8.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -8.1990 8.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 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 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 M END