IBS-ZINC05347614 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 1.2680 -0.7050 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -1.0370 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -1.5600 -0.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -1.9050 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -1.7640 1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.4300 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -3.7240 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -4.2810 -0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -3.6740 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 -2.3500 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 -1.7630 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7400 -0.5440 1.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0190 -0.5170 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5470 -1.7170 1.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -2.5480 1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 -3.8560 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 -4.3880 0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 0.6760 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0820 0.6000 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7110 1.7340 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0600 2.8770 3.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7910 2.9910 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0850 1.9050 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -1.5280 0.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8670 -0.8990 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -0.6570 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 0.7190 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.5190 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 0.9430 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -0.4330 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -1.2330 -2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -4.5850 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.3060 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.6100 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.0360 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -1.7780 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.1320 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -4.4700 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6210 -0.3320 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7510 1.6850 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2970 3.9460 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 2.0050 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 1.1690 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 2.5940 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 1.5680 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -0.8830 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -2.3080 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -4.9530 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -5.4290 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -3.9950 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 38 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 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END