CHEMDIV-ZINC00952697 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1850 1.4250 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.0110 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -1.0070 1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -2.3420 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.6800 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -1.6980 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -0.3650 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -4.3730 -0.6040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -4.4130 -2.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -4.9620 0.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -5.0120 -0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -4.7880 -1.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2070 -4.0220 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -4.4800 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -3.0830 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -2.7130 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -1.3500 1.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -0.8090 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -0.8140 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 -1.8790 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -1.5970 -1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -0.2680 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 0.7740 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 0.5210 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -6.1630 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -7.1220 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 1.8780 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 1.9940 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 1.5080 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.7480 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -3.1080 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.9570 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 0.3960 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -6.0500 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -4.6070 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -5.1930 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -3.3080 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -2.4030 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -0.0500 -3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 1.8000 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 1.3320 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -6.1560 -2.7170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END