IBS-ZINC02090498 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 23 0 0 1 0 0 0 0 0999 V2000 -0.0260 1.4970 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.0320 0.0770 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0220 -0.4120 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.5130 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.0620 0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.5420 -1.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.4630 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 0.0520 -2.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -1.1030 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.5240 -3.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -1.1430 -4.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -1.7240 -5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.6740 -7.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -1.0910 -6.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 2.0520 -0.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 1.4420 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 1.8840 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 1.8840 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.0090 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.7510 -4.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -1.1800 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -2.7650 -5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.3320 2.4140 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.2230 -8.1990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 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 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 -1 M END