CHEMBRIDGE-ZINC04869963 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.0050 1.4060 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0220 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.5840 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -2.1110 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -2.5540 -1.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.8950 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -4.7650 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -6.1280 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -6.6280 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -5.7660 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.3970 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -3.5210 -1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -3.8980 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -4.9550 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -3.0260 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -1.8110 -1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6640 -1.0020 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -1.3920 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 -2.5940 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9960 -3.4160 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4260 -3.0030 -0.3850 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.3860 -2.2810 -0.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5720 -4.0610 0.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6620 -8.3410 -0.8460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.7800 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.7740 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.7540 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -0.2570 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -0.2510 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -2.5380 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -2.4330 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -4.3780 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -6.8050 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -6.1590 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -2.6440 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -1.5060 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -0.0620 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -0.7550 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1270 -4.3560 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END