PUBCHEM-ZINC00040220 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 0.0810 0.9070 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.4950 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.9930 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -0.1530 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -0.6700 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.0380 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.8680 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -2.3540 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -4.3130 0.9430 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1730 -4.7660 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -5.0480 1.1250 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8500 0.2160 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -0.2450 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -1.5310 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -2.5510 -1.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 0.5620 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 1.2020 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.1720 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 1.1560 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 1.4620 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 0.9010 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -2.4410 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 1.2310 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -3.1800 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -3.2700 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 3 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END