IFLAB-ZINC04291747 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.0230 1.5250 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.0730 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -0.5360 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 0.1290 -1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -2.0070 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -2.7750 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -4.1510 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -4.7830 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -4.0440 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.6490 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8550 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -2.0130 -3.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -1.0620 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 -0.3540 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -0.8550 -3.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 0.7440 -5.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 1.3550 -5.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 2.4580 -6.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 3.0790 -6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 4.1210 -7.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 4.5200 -8.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 5.5600 -9.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 5.9010 -10.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 5.2250 -10.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 4.2070 -9.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 3.8280 -8.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 2.8390 -7.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 4.8030 -7.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 5.7780 -8.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 1.9020 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 1.8770 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.8860 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.2910 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -4.7420 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -5.8620 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -4.5440 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -2.7370 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -0.9100 -5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.0660 -6.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 1.0320 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 2.7460 -5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 6.0910 -9.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 6.7050 -10.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 5.5130 -10.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 3.6930 -9.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 4.3420 -6.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 4.8210 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 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 28 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 M END