ASINEX-ZINC04728923 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1980 -0.6890 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 1.8490 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 0.6740 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -0.4090 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.3350 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 0.7950 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 2.0060 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 3.0990 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 3.0300 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8090 2.1340 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 3.4080 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 3.5280 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3030 4.8670 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6930 5.0000 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 6.2560 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4620 7.3860 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 7.2670 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4960 6.0130 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 8.4810 -0.0440 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7550 9.5840 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 8.3770 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -1.7690 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3700 1.3430 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3110 2.6460 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 4.1220 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3380 6.3590 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9160 8.3660 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 5.8950 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 5.8580 0.8260 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END