CHEMBRIDGE-ZINC04200272 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3790 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.0040 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6810 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4260 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 0.0570 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 -0.6070 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -2.0700 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -2.8260 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -4.1870 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -4.8350 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -4.1290 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -2.7220 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -2.0040 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 0.1350 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -0.4680 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 1.4770 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4680 2.0320 -0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5350 3.3290 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 4.0040 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 5.3930 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 6.0160 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 5.2660 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 3.8880 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 3.2530 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6350 5.9400 -0.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 13.6980 7.1540 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6560 5.2820 -0.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3750 4.0770 -0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.7600 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9840 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1720 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 1.1360 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2130 -2.3350 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0840 -4.7710 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 -5.9140 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8310 -4.6460 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 5.9800 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2180 7.0920 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1570 3.3070 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 2.1770 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 3.6340 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 5.0430 -0.4160 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 16 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 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 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END