IBS-ZINC05272241 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -0.7220 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -1.1590 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.4880 -3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -1.3710 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 -1.6860 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -1.5610 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 -1.1250 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -0.8120 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -0.9260 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.6220 -0.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.1510 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.7530 -2.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -1.5110 -4.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -1.4440 -5.2210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -1.8320 -6.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -2.1060 -4.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 0.2480 -5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.0420 -6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 2.3700 -6.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 2.9060 -5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 2.1060 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 0.7780 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 4.2110 -5.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 4.6950 -4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -1.8230 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 -2.0250 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 -1.8040 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -1.0350 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.4760 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.8000 -5.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 0.6250 -7.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 2.9900 -7.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 2.5210 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 0.1550 -3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 4.1250 -3.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 4.5790 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 5.7480 -4.1370 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END