PUBCHEM-ZINC05591143 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 29 0 0 1 0 0 0 0 0999 V2000 -0.7260 1.4770 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 0.0270 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.6110 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -2.0750 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.7330 2.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5920 -2.0720 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -4.1080 2.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2720 -4.0130 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -4.5320 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -5.4820 4.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -5.0810 2.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -6.0960 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -6.3370 0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -6.8530 1.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.8710 3.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -3.8170 3.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 2.0730 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 1.9130 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.5570 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.5340 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.0190 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -0.0460 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.5460 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -2.6370 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.1120 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -4.9350 2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -6.6420 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -7.6310 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -3.8770 3.9740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5040 -1.9980 4.5960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 -1 M END