IBS-ZINC04040157 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8510 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1560 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1220 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.8980 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8090 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3560 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.8330 -2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.2590 -3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.7390 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3990 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4290 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.6380 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.2680 4.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1380 0.8090 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -0.6890 5.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -1.2470 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -1.6960 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.2280 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.6560 1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.5270 6.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.8210 6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 2.3530 8.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 0.0020 8.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -0.9890 5.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -0.4550 6.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -1.4780 6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -2.5760 6.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.2720 6.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.1630 3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.5680 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.1410 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.1160 -5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -3.7130 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -4.1940 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -3.1900 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.3310 6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -0.5640 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 1.6240 6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 0.8570 5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 2.5760 7.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 3.0540 8.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 2.4450 9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -1.0060 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 0.1390 7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9820 0.1440 9.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 0.5600 5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.3940 7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -3.5370 7.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.4040 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 0.9830 7.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 54 1 0 0 0 0 M END