PUBCHEM-ZINC05965960 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.0300 -0.8400 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -1.0060 1.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0160 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.2010 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.6240 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.0680 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1900 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -3.6940 1.3150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -3.0280 -1.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -2.7570 -3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -3.7880 -3.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -3.6570 -5.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -4.9320 -5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -5.8040 -4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -5.1130 -3.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -7.2820 -4.8830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4430 -7.8630 -6.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -8.0150 -3.7920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9950 -0.8120 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -1.6760 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.0920 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -0.3570 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -0.3330 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.7310 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -2.7410 -5.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -5.2140 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 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 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END