ASINEX-ZINC04712882 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 1.8290 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7440 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.6970 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.3640 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 0.6730 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -0.5480 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -0.5710 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 0.6290 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 1.8510 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6610 1.8720 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0730 0.6070 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7310 1.3990 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2000 1.3760 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 2.2240 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2880 2.1960 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9750 1.3310 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2860 0.4890 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 0.5070 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0290 -0.4300 0.8140 N 0 3 0 0 0 0 0 0 0 0 0 0 16.2470 -0.4430 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4220 -1.1730 1.5650 O 0 5 0 0 0 0 0 0 0 0 0 0 15.1690 3.2480 -2.8300 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 3.1790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -1.4750 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 -1.5150 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 2.7780 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 2.8160 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 2.0720 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3790 2.8980 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0540 1.3160 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2230 -0.3160 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0110 -1.1800 0.4070 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 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 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 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 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 37 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END