IBS-ZINC05099395 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0130 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4090 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 2.1640 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 1.6720 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 2.5390 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3270 2.5170 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 3.7640 -0.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 4.5610 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 3.8650 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 3.9260 -0.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 1.3120 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 1.4170 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 0.2890 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 -0.9460 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4440 -1.0580 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6410 0.0650 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 -2.6110 0.6180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -0.8430 -0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7650 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 2.3800 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3770 0.3690 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 -1.8260 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 -0.0220 0.5090 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 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 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 30 1 0 0 0 0 M END