PUBCHEM-ZINC00481413 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7120 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0940 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7250 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0140 -1.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6950 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.4840 -0.1800 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.7070 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.7480 -2.8230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -4.2890 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -5.6270 -3.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -5.9020 -2.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -7.2300 -1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8910 2.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0680 -2.3300 3.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.1080 2.3370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1950 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1480 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -3.7420 -4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -6.3490 -4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -7.5790 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -7.9250 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -7.1740 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END