IBS-ZINC06658966 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.1670 1.3620 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.1490 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6270 -0.3660 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.6440 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.4760 1.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -0.1610 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -0.5360 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -0.6670 2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -1.0360 3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.2780 4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -1.1460 4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -0.7710 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -1.6740 6.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -1.7900 6.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -1.9080 7.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -2.2940 8.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -0.8210 -0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -1.5660 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.6840 -2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -2.2310 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 -3.0160 -2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -3.6190 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -3.4460 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -2.6710 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -2.0580 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -1.2710 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -1.1420 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.6900 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -0.0120 1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 1.8620 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.7200 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 1.5800 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 0.4460 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -0.4800 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -1.1380 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -1.3320 5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -0.6640 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -1.5030 8.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -2.4510 9.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1850 -3.2160 8.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -3.1520 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -4.2280 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -3.9240 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -2.5420 0.5820 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 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 M END