IBS-ZINC00540631 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 1.3300 -1.0110 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.5320 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -0.9420 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.4290 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 -0.7620 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -1.6170 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -2.1340 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -1.8010 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -2.0000 0.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -1.6140 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 -0.8470 -0.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 -2.2040 0.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8500 -2.7680 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 -2.0670 0.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7600 -1.0550 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1240 -3.1480 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 -2.9490 -1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -3.7480 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5730 -3.5610 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 -2.5750 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1950 -1.7750 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4790 -1.9600 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2550 -2.3290 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5290 -2.9350 2.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 -0.5870 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -0.6770 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -2.1010 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.2410 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -0.3360 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -2.8040 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -2.2290 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -2.6320 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 -4.1400 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2180 -3.1910 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -4.5130 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8260 -4.1800 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 -2.4250 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7120 -1.0010 -4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2190 -1.3260 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4430 -1.9120 2.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 40 -1 M END