PUBCHEM-ZINC02539434 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 0 0 0 0 0 0999 V2000 0.5230 1.1170 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1290 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.6390 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.0520 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.9430 -0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -2.7190 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -4.0050 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -4.6220 -1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -3.0560 1.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -3.0070 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -2.6590 1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -3.4180 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -3.4010 4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 1.4940 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 1.7870 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.7840 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -2.4860 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.0970 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -3.3410 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -3.7310 3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -3.7010 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 -3.0910 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.2530 -1.4080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 23 -1 M END