PUBCHEM-ZINC05159461 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 0 0 0 0 0 0999 V2000 1.9680 0.5110 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 1.1930 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 2.3360 -3.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 0.4430 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 0.9120 -3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 0.1860 -3.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 2.1020 -4.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 2.6340 -4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 1.8590 -5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 2.4540 -6.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1250 3.8430 -6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 4.4070 -7.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 5.7800 -7.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 6.6220 -6.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 6.0740 -5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 4.6710 -5.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 4.0280 -5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 7.2310 -5.3410 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 7.0300 -3.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 6.7460 -5.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3070 6.2650 -7.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.5730 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 0.7090 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 0.8950 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -0.4960 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 0.8500 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 2.6890 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 0.7750 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 1.8110 -6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 3.7780 -7.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 7.6940 -6.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 4.6330 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 7.2300 -8.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 8.5370 -5.8120 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 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 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 34 -1 M END