IBS-ZINC04957681 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0380 1.5020 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0740 -0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.5740 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.9600 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -2.6170 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -0.5120 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 0.1490 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -2.6130 0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7990 -3.6630 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -2.4900 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 -1.8490 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 -1.5380 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 -0.9650 0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -1.9840 1.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -1.8620 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -0.5720 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 0.6140 2.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 1.5430 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 0.8690 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -0.4130 2.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -1.5410 -2.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -2.9730 -2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -2.1800 -3.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -4.4240 -2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -4.8830 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -6.2380 -4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -7.1420 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -6.6940 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -5.3420 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 1.8920 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.8220 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8810 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.5260 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -3.6960 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 0.0500 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 1.2280 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -1.8660 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -2.7020 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5000 0.8180 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 2.5930 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 1.2870 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5040 -1.0810 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -4.1780 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -6.5940 -5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -8.2020 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -7.4050 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 -4.9940 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END