IBS-ZINC00173787 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 3 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 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1870 -0.2370 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -2.0370 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -2.4750 2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -1.7740 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -2.3360 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -1.6340 3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -0.3700 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 0.1950 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -0.5040 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.0640 1.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -0.3350 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -1.0850 -3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -1.4000 -3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6970 -1.8440 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.9780 -5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.6670 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.2280 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -1.8120 -7.1760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4780 -2.2050 -8.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.5390 -7.2230 O 0 5 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 -0.0980 -2.5000 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -2.3100 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -3.3230 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -2.0740 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 0.1760 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 1.1830 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -1.2950 -2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -2.0880 -4.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3250 -6.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.9900 -4.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 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 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END