CHEMBRIDGE-ZINC00719709 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.2840 -0.6770 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.9340 0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -1.9310 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -3.1830 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -3.3200 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -2.2130 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.9620 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.8160 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -2.3410 -0.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7320 -1.4740 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -2.3000 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 -4.1090 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -3.2870 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -3.8810 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8570 -2.8760 -0.9110 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.9750 -2.1430 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1920 -3.5560 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1370 -2.5110 -1.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4390 -2.8820 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3390 -1.8170 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7020 -2.0480 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1650 -3.3640 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2730 -4.4390 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9100 -4.1940 -1.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5940 -3.6210 -2.2790 N 0 3 0 0 0 0 0 0 0 0 0 0 -18.3510 -2.6440 -2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9600 -4.8020 -2.3580 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.3960 -2.1390 -2.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1740 -1.6330 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -0.8520 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -0.0020 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -0.2230 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -4.0650 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -4.3230 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -0.0600 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.1840 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -0.9270 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -0.7330 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -2.9610 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7630 -1.6400 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -4.6960 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -4.7730 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -2.7110 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -3.9710 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7590 -4.2180 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -4.7460 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1020 -4.1780 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4990 -4.1580 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9780 -0.7930 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3760 -1.1980 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6150 -5.4690 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2460 -5.0490 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 -3.1840 -0.8720 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7120 -2.5550 -1.6610 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 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 53 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 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 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 53 1 M END