PUBCHEM-ZINC00613118 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 1.7960 -0.5400 -4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -1.6600 -3.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.5110 -2.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -0.3580 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.3330 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -1.4570 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.6130 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.6420 -1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -4.0550 -0.2930 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -4.7640 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -3.6390 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -4.9850 -1.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -4.4300 -2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -4.3170 -3.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -3.7810 -4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -3.3500 -3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0520 -3.4700 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -4.0060 -1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0790 -2.7810 -4.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 -2.7250 -5.8680 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7450 -0.8220 -4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.2730 -4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 0.3140 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 0.5400 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.5690 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -1.4250 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.5380 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -5.6140 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -4.6370 -4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -3.6990 -5.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 -3.1480 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -4.1030 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -2.4030 -3.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 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 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 2 0 0 0 0 M CHG 1 20 -1 M END