IFLAB-ZINC04272873 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.3150 0.9180 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.4130 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.7690 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 0.1890 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 1.5270 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 1.8910 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -0.1630 0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 0.7210 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -0.0530 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -2.1730 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 -1.3970 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 -2.0520 1.2030 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0080 -2.6420 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -3.0450 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7360 -2.4830 3.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 -1.4890 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -0.9900 3.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 -1.0320 5.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 -0.5670 6.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 -0.1290 7.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3150 -0.1510 8.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 -0.5950 7.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 -1.0300 5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 0.2990 9.4850 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8740 0.6640 10.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 0.2850 9.7280 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3650 -1.1920 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3740 -1.1890 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -0.1360 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 0.4380 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -0.1930 1.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.1970 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.1790 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -1.8180 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 2.3150 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 2.9340 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 1.5400 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 1.1710 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 -0.4010 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6040 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -3.0340 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -2.5110 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.1290 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -2.0550 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 -3.7140 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 -3.6880 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 -2.8840 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -0.5500 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 0.2200 8.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3310 -0.6040 7.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 -1.3370 5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 -1.8640 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1580 0.1670 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 1.2600 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -1.2890 1.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 5.8400 -0.9680 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 55 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 55 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 55 1 M END