IBS-ZINC05269863 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.3720 -0.2550 -1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 0.2550 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.5490 0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.0250 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 1.1300 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 1.6360 3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 0.9880 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -0.1500 2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 -0.6500 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.8930 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -2.1740 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -1.9420 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0670 -2.1360 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -2.8700 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -1.3360 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -1.4250 -2.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -3.6090 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -4.2970 -1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 1.5000 4.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6070 2.4500 5.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 0.9570 5.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1090 0.4500 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.2200 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.3540 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.3380 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.2680 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.6530 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.5250 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 -0.6660 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -2.7360 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -1.7890 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -2.7670 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -3.9240 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.6220 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -0.6060 -1.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5500 -4.0030 -0.3190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 35 -1 M CHG 1 36 -1 M END