PUBCHEM-ZINC03657055 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.1290 -0.3140 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.2570 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 0.9340 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 2.0880 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 2.0610 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.8510 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 0.8020 4.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4780 -0.2520 4.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.8170 4.5680 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6720 3.3410 0.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2360 3.2860 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 4.3780 1.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5910 -1.4870 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -1.7870 1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.2370 0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -1.9360 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -3.3100 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -4.1670 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -3.5360 -0.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6970 -4.1240 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -3.5100 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -4.2940 -2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -2.7060 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -2.6670 -1.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6560 -2.7330 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -3.8550 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -4.3700 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 -5.5510 -2.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5150 -3.4440 -2.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1700 -3.6950 -3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 -2.4410 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -1.3380 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -0.4420 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -1.2600 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 0.9430 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 2.9640 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.4520 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -1.2830 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -3.3220 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -3.6690 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -4.1310 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -5.2170 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -2.0930 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -4.7050 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -3.6000 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 -1.3170 -2.0390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 32 33 2 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M CHG 1 46 -1 M END