IBS-ZINC02226265 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -1.9340 -1.0980 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -1.0780 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.4340 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -1.3210 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -0.7830 -0.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.7340 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -0.3180 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -1.1060 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.5280 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -3.3050 -2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -2.8420 -4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.0250 -5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -4.0330 -6.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -2.8630 -7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -1.6560 -6.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -1.6850 -5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.6290 -4.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.4180 -7.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 0.7210 -9.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 0.8310 -10.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 1.2840 -10.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 0.3740 -9.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 0.2500 -8.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.8650 -8.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -0.3670 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -2.0920 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -0.8550 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.7540 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -1.5240 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 0.7040 -2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -4.9140 -4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -4.9530 -7.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 0.4910 -6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -0.5120 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 0.3050 -10.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.6910 -9.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 1.5570 -11.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.1300 -11.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 0.7650 -9.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -0.6000 -9.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 1.2180 -7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -0.4860 -7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -3.7880 -9.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.2060 -8.7400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.1580 -9.1510 H 0 0 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 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 44 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 19 44 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 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 44 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END