CHEMBRIDGE-ZINC04311864 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 2.9070 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 0.7030 -2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -0.7060 -2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -1.2560 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.4370 -3.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -0.2540 -3.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 1.0270 -3.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9130 1.5840 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.8320 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 3.2000 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 3.9380 -5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 3.3080 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 1.9400 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.2020 -5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 4.0980 -6.9150 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1740 5.3040 -7.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 3.5430 -7.5790 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.4150 -5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 -0.4860 -4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -0.6540 -6.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -0.7240 -5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2300 -0.6460 -4.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -1.3560 -1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 3.6920 -3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 5.0070 -5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.4470 -6.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.1340 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 0.4340 -5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -1.3350 -5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 -1.3350 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 0.4340 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 0.1950 -6.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -1.5740 -6.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 3.1800 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7050 -0.8710 -6.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 -0.9110 -6.7620 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 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 25 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END