PUBCHEM-ZINC05411553 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.7480 1.8530 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 0.3710 0.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2030 0.0790 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.6090 0.3660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5200 -0.3720 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -2.0490 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9870 -2.7750 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.1660 -1.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1310 -2.0750 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.0560 -1.3340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1730 -1.1230 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.2050 -1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.2690 -0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -3.4600 -1.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -3.4390 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.3880 1.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.9870 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -0.5540 1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.0930 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 2.4770 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 2.2230 0.0370 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 2.2360 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 2.4040 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 1.9730 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 1.0100 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -0.3300 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 3.3560 0.4520 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3440 0.8160 0.4260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 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 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 -1 M END