IBS-ZINC00495390 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 0.0330 1.5460 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.0170 -0.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6000 -0.3200 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2160 -0.1730 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -2.0240 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -2.8060 1.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.3190 1.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -1.2130 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -1.2280 1.2700 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -0.0850 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -3.6220 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -4.0780 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -5.3630 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -6.1950 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -5.7440 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -4.4580 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -0.4770 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 1.9230 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 1.9220 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.8840 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 0.8260 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -3.4280 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 -5.7180 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -7.1990 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -6.3970 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -4.1050 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -0.2140 0.6540 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 2 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END