IBS-ZINC05346912 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.1280 2.9990 -0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 1.5330 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 1.4400 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 0.7490 -0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3100 1.1700 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.6950 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -1.5620 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.8370 -1.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 1.3690 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 1.8020 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 1.4000 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 1.8820 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 2.2960 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 3.4510 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 3.8370 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 3.0840 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 1.9330 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 1.5340 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 1.1980 2.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 3.4700 1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 0.6610 -3.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 0.3850 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.3270 -2.7480 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 3.5570 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 3.0650 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 3.4200 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.1120 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 1.8610 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 0.3960 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.9990 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3670 1.9610 -3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 4.0400 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8900 4.7290 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 0.6400 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 0.5050 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 3.1010 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -1.0190 1.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.9580 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 31 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 37 38 1 0 0 0 0 M END