IFLAB-ZINC00082295 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.0620 1.4360 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.0930 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -0.5520 -1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3420 -0.1140 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -2.0520 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -2.5780 -1.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -2.8310 -1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -2.3400 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -0.9030 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -0.1230 -1.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 0.9360 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 1.4840 -1.8120 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 1.5640 -2.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 2.5480 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 2.8700 -3.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 3.2370 -4.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 2.5000 -5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 3.1490 -6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 4.5270 -6.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 5.2630 -5.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 4.6260 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 5.4140 -3.5420 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9970 6.6310 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 4.8460 -2.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0770 1.8330 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.8010 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 1.7630 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.4580 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.4900 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -3.7910 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.9790 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -2.3690 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.8950 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -0.4700 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 1.3070 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 1.4250 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 2.5800 -7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 5.0300 -6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 6.3380 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END