CHEMBRIDGE-ZINC00455101 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.0040 1.5030 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.6960 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -2.0770 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.7710 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.0720 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.6910 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 0.0670 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1690 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -4.8480 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -4.2490 2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -6.3180 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -7.0090 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -8.3840 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -9.0850 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -8.4180 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -7.0310 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -6.3100 3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -6.3140 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -5.6420 5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -4.9600 6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -4.9440 5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -5.6130 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -5.5940 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -6.1820 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.8560 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.8730 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.8700 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -0.1560 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -2.6170 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -2.6090 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.2390 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.5140 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.0240 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.6500 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -6.4690 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -8.9160 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -10.1600 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -8.9720 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -6.8440 4.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -5.6470 6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -4.4380 6.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -4.4120 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -4.9250 3.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -4.9420 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M END