IBS-ZINC02129803 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.1190 1.7610 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 0.2320 0.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4080 -0.0990 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.3770 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -1.0510 2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.1100 1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -0.6030 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -0.1230 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -0.6420 3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -0.1540 3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 -0.6640 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -0.2170 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 0.5190 3.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -0.3340 0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -1.4090 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -1.8850 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.9980 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -3.0680 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -3.6080 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -3.0790 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -2.0090 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 -1.4730 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -0.4130 0.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -0.0280 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.1760 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.1020 1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.0980 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.1830 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 2.1940 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.4300 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.2600 3.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.6980 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -0.4570 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 0.9740 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -0.3030 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -1.7390 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -0.4900 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 0.9430 3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8050 -0.3220 5.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 -1.7610 4.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -3.4860 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -4.4420 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 -3.5020 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -1.6090 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3980 -0.6500 5.7530 O 0 5 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 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 45 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 45 -1 M END