IBS-ZINC00754221 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 49 0 0 1 0 0 0 0 0999 V2000 0.2670 1.3410 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.0740 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.5950 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 0.1720 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.4340 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -1.8120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.5780 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -1.9960 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -2.7560 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -3.1440 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -3.9890 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -4.9230 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -4.0230 -0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -2.7070 -0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3610 -2.6540 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -2.5720 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -3.6110 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2050 -3.0610 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -3.5960 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 -2.7460 -4.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8870 -1.3820 -4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -0.8280 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2780 -1.6900 -2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -1.4240 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -0.5090 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -5.0330 -1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -5.2170 -0.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4030 -6.0840 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -5.5790 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -4.8680 1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 1.5800 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 1.8140 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.7390 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 1.2540 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 0.1760 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -2.2730 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -3.7150 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -3.7890 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9640 -4.6580 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -3.1570 -5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5460 -0.7400 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1510 0.2330 -3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 -5.7200 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -5.2530 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -6.5730 0.4390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 45 -1 M END