PUBCHEM-ZINC03871605 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 0.2130 1.6690 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.3480 -0.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -0.5210 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.0010 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.3780 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 2.2760 -0.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 1.6060 0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 0.3840 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -0.6090 0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 2.8950 0.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6540 3.6730 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 3.1480 1.9460 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1800 2.2070 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 4.0810 1.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6740 4.0970 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 3.5280 0.4440 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2550 2.6910 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5220 2.9490 -0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 4.5690 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0890 3.8980 -1.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6930 3.9300 -1.3220 P 0 0 3 0 0 0 0 0 0 0 0 0 10.3140 5.2790 -1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1090 2.8280 -2.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 2.3720 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3150 2.6770 -1.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 1.3930 -3.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7220 0.5930 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2780 2.1060 -5.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5890 1.1460 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4900 0.2930 -5.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 5.4180 1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 5.3440 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 3.8230 2.6160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7440 -1.8720 -0.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 2.3290 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 0.2860 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 5.2340 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 5.1740 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 2.4830 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 2.9680 -5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.1710 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.5240 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 3.2130 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9490 1.3160 -7.2520 O 0 5 0 0 0 0 0 0 0 0 0 0 12.7960 0.7050 -3.6830 N 0 3 0 0 0 0 0 0 0 0 0 0 12.8990 0.2920 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8720 -0.0710 -3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 1.3620 -3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 2.3310 0.1990 H 0 0 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 35 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 31 32 1 0 0 0 0 34 41 1 0 0 0 0 34 42 1 0 0 0 0 43 49 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 33 -1 M CHG 1 44 -1 M CHG 1 45 1 M END