IFLAB-ZINC04497566 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.2290 1.6020 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.1020 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.5850 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -1.9750 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -2.6600 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.9730 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.5960 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.1310 -2.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5240 -0.4900 -3.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.3490 -2.4530 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1660 0.1550 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.3590 2.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.5040 3.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 0.2300 4.9170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8920 1.2220 4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 0.3180 5.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 0.1850 7.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 0.4770 7.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.3050 7.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.5620 5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -0.5400 8.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -1.1720 8.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -1.4050 9.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 -1.0080 11.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.3730 10.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.1350 9.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 0.0300 12.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -0.5550 13.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -0.5120 13.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -1.2540 12.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 2.0620 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 1.9080 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 1.9200 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.5120 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -3.7350 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.5140 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.4650 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 1.2810 5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.4980 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -1.6270 5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -0.2050 6.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -1.4830 7.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -1.8970 9.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 0.3610 9.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 0.0130 14.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -1.5880 13.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.5210 13.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -0.9620 14.2660 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 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 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 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 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 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 29 48 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END