IBS-ZINC02117251 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1900 -2.1200 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.1680 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 0.5460 5.5210 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.0620 5.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8940 0.7860 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.2440 4.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.1060 5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -3.1630 4.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -1.5800 6.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.2370 6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 0.5040 7.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.0590 8.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -1.3720 8.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -2.1570 7.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -3.4430 7.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -4.4530 8.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -1.9170 10.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -1.0760 11.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -0.7120 3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 0.6130 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.5290 7.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 0.5280 9.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -5.4330 8.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -4.4140 7.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -4.2820 9.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -0.7490 11.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.2060 10.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -1.6320 12.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 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 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END