CHEMDIV-ZINC02971780 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1240 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.6090 3.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -0.3820 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 0.2240 5.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.8810 6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.4230 7.6180 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.1110 8.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.7300 8.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -2.2790 9.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -2.9400 8.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -3.4830 9.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -3.3880 11.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -2.7480 11.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.1850 10.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -1.4860 11.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -1.3720 12.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.9690 10.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -0.2570 10.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -1.2490 10.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -0.5380 10.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -1.2140 11.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -2.4110 10.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -0.4820 11.3560 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.9610 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5720 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -1.0940 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -1.9660 6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -0.4330 6.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.0210 7.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -3.9930 9.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -3.8260 11.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -2.6800 12.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.2200 11.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 0.5020 9.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -1.7270 9.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -2.0080 11.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 0.4200 11.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 0.5780 11.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 -0.6060 10.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -0.8880 12.2810 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 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END