PUBCHEM-ZINC05553268 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.1470 1.6760 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.2960 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.5790 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -0.0210 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 1.3560 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 2.2280 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 3.7160 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 4.4420 0.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0420 -1.9770 -0.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7800 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.3860 -1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -3.2420 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -2.8400 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -4.7150 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -5.1110 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -6.2680 -1.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -4.1010 -0.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.3260 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -0.0620 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.6520 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 1.7520 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.4240 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -5.0320 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -5.2320 -2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -4.3770 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 4.1260 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 2 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 25 1 0 0 0 0 M CHG 1 8 -1 M END