CHEMBRIDGE-ZINC01162464 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0330 0.7590 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 0.7210 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 2.8500 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 3.4930 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 4.9280 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 5.9390 -0.5960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9170 5.7270 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 7.3120 -0.2880 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0900 7.9460 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 9.3590 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 10.0160 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 11.3990 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 11.7630 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 10.4400 -0.7040 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 7.2390 -2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 6.9440 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 7.7160 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 5.4610 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 4.8840 1.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 5.8450 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 5.5250 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 5.4040 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 5.6050 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 5.9310 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 6.0480 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 5.4590 1.1140 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4580 5.1060 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 5.6830 2.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.3310 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.0870 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 1.1100 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 1.0030 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -0.3640 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.0990 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 3.1500 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 3.1350 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 3.3270 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 3.0390 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 9.5220 -3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 12.0920 -3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 12.7450 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 7.9610 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 5.3650 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 5.1540 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 6.0940 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 6.2960 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.3320 1.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8490 1.0520 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 47 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 47 1 M END