IBS-ZINC05047419 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -5.0070 7.4440 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 6.2420 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 4.9840 -2.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 4.7110 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 4.2230 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 4.9970 -4.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 6.3010 -4.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 2.5080 -3.3170 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 2.1060 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 1.8700 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 1.9110 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 1.8290 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.9190 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 2.0440 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 2.0310 -1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 2.1870 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 2.1600 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 2.3020 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 2.4820 -3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 2.4920 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 2.3490 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 2.6190 -1.3290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 2.6450 -4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 3.6320 -4.2670 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4130 2.0030 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9620 2.0370 -0.6610 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1600 8.1130 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 7.9900 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 7.1760 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 1.6400 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 1.7240 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 1.8940 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 2.0230 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 2.2710 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 2.3620 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 1.7900 -5.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 1.8660 -2.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 2 0 0 0 0 25 26 1 0 0 0 0 25 37 2 0 0 0 0 M CHG 1 24 -1 M CHG 1 26 -1 M END