IBS-ZINC06662800 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 1.5730 1.7580 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 0.2710 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4650 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.8110 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -2.5860 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -3.9520 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5510 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -3.7750 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 -2.4070 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -5.9400 -1.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -6.4980 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -5.8930 -3.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -8.0040 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -8.2220 -1.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6540 -8.7390 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -6.8160 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -6.5280 0.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -9.6880 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -10.4570 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -11.1910 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -12.4680 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -12.7850 2.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -13.6520 2.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -11.6900 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -10.6420 2.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -9.3930 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -9.1940 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -10.2320 4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -11.4710 4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -7.9800 3.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -7.8420 5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 2.1150 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 1.8980 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 2.3190 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 0.1310 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -0.0860 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -2.1200 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -4.5560 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -4.2400 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -1.8030 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -8.4510 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -8.4130 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -8.9710 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -10.3870 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -9.7580 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -11.1740 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -13.1450 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -8.5870 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -10.0660 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -12.2680 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5340 -6.8270 5.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 -8.5510 5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -8.0420 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -8.9730 -1.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -8.3650 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 54 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 54 55 1 0 0 0 0 M END