IBS-ZINC05155603 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.6820 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.0100 -2.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.6080 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -1.9990 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.6920 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -2.0060 -1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -4.0780 -2.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -4.7980 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -6.3050 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -6.5820 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -7.0850 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -8.3070 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -8.1200 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -6.7010 -1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.7250 -4.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5850 -3.0140 -4.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -3.0330 -5.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3080 0.1240 -4.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.4990 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -4.5720 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -4.5210 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -4.5370 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -6.4750 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -7.4080 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -8.3000 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -9.2330 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -8.4400 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -8.6770 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 1.0940 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.3330 -4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END