PUBCHEM-ZINC06092123 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 0.1990 1.2610 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.1110 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -0.6560 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 0.1800 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 1.5640 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 2.1020 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 3.8500 0.0260 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 4.2900 -1.9700 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 5.7080 -2.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 3.4480 -2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 3.8500 -2.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -0.4010 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -1.1930 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.1260 0.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8360 -2.8540 0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.6070 -0.0370 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7950 1.6810 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.7590 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 2.2160 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 4.0140 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -0.0520 -0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -0.4580 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END