CHEMDIV-ZINC00211544 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.5200 1.0550 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.3600 -0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.0800 1.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0940 -0.3210 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.1670 1.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7520 -1.6590 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -3.0270 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -4.3670 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -5.1190 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.5120 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -3.1670 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.4310 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.9930 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.4370 -2.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -5.3100 -3.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -4.7260 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -6.4390 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -7.1220 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.7880 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -3.9410 2.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -1.5310 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -1.3900 2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -1.7970 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -2.3360 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -2.4900 0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -2.0930 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 1.1760 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 1.4890 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 1.5840 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.8160 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.6650 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -3.9080 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -4.3930 -4.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -5.4970 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -7.0940 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -6.7220 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -8.1710 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -0.9800 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -1.7040 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -2.6740 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -2.2460 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -2.0410 3.5200 O 0 5 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 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 42 -1 M END