CHEMBRIDGE-ZINC01194147 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.0180 1.5250 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.0010 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.5020 1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -1.8470 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.3990 2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -3.7630 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -4.5930 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -4.0340 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -2.6690 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -6.0560 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -6.5400 3.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -6.8550 0.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -8.2280 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -8.7080 2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -10.0640 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -10.9520 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -10.4800 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -9.1120 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -8.5960 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -11.4290 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -11.3120 -2.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -12.3590 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -13.1490 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -12.5420 -0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -14.3020 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -14.6310 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -13.8080 -4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -12.7180 -4.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 1.9400 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 1.9060 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 1.8150 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.4160 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.2920 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -1.7560 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -4.1910 3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -4.6720 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.2370 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -6.4770 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -8.0180 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -10.4300 3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -12.0100 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -8.3020 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -9.3790 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -7.7330 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -14.9280 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -15.5220 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -14.0680 -5.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 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 38 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 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 28 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 M END