PUBCHEM-ZINC05116921 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.2800 1.4230 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.1620 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.1470 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.3660 -0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -1.2900 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.5920 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 0.4350 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 1.6870 -1.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.6220 0.3440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4360 0.0710 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -1.7540 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -2.4250 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.0920 1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.2720 1.8320 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -0.5070 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.5490 4.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4820 -2.2020 4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.8410 5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -1.2740 5.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -1.3540 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.5330 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 0.1870 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.0960 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -3.2700 -0.6080 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2850 0.0040 6.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.4460 3.5190 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0750 -3.4400 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -2.1970 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -2.2730 4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 25 -1 M CHG 1 26 1 M END