PUBCHEM-ZINC05718103 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.2050 1.3060 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.1550 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.9420 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.9160 -1.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -2.2410 -1.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.0260 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.0460 -1.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -1.7620 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -2.9010 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -3.6070 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -3.1800 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -2.0450 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -1.3350 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.2220 -1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 0.1560 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -4.8220 1.1290 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2290 -5.1990 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -5.4450 1.8550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7980 1.7310 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 1.6770 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.5970 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.2000 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -1.8550 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -0.3580 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -0.6250 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -3.2370 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -3.7340 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -1.7150 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 0.3490 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -0.6510 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 1.0580 -1.8550 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 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 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