IBS-ZINC04023862 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 1.3180 1.2850 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.1430 -0.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.7300 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -2.1110 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -2.7060 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -1.9240 2.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -0.5470 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.0520 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -2.5750 4.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6830 -3.6580 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -2.0910 5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -0.6540 5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 0.1010 6.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -0.2090 5.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -1.0490 5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -2.2050 4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 -3.0830 4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -4.1090 3.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -2.7710 4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.9080 5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 -0.6520 5.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 1.1310 5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 1.6140 7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 2.9350 7.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 3.7910 6.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 3.3020 5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 1.9790 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 5.2070 6.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 5.6300 7.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.6210 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.6230 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.6990 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -2.7220 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -3.7810 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 0.0610 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 1.1280 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -2.1670 5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -2.7050 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -3.6990 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 -2.2280 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 -2.4690 6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 -1.6220 5.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 -0.0780 4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -0.0420 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.9520 7.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 3.3090 8.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 3.9610 4.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 1.6000 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 6.0310 5.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 6.9500 5.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 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 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 49 50 1 0 0 0 0 M END