CHEMBRIDGE-ZINC00464710 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0300 1.5140 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.0150 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.5110 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.5110 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.1920 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -0.1960 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.6390 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 -1.6020 3.3690 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.3240 4.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.8700 5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -0.6270 7.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.1760 8.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -1.9520 8.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -2.1520 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -1.6200 5.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -2.8100 9.7260 I 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.8930 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.8730 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8670 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.3940 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.1320 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.6000 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.1520 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.3490 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.2820 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -0.0180 7.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.0040 9.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -2.7540 6.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 M END