IBS-ZINC04137066 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0680 1.4990 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.0000 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -0.7540 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -2.1530 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.7750 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -2.0640 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.6530 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -3.0190 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.2850 -1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.1080 -0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -4.8600 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -5.6120 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -6.5610 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -7.8050 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -8.0620 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -7.0560 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -5.8400 -3.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.7020 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.7070 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -2.4320 -5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -2.4590 -6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -2.4460 -5.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.8350 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.9430 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 1.8730 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.2530 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 -2.7280 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.0770 -2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -6.3390 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -8.5650 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -9.0190 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -7.2040 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -3.4200 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -1.7200 -3.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -1.9530 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -3.6760 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -3.1760 -6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.4460 -5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -2.4830 -7.6190 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 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 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 39 -1 M END