IBS-ZINC05016727 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.3050 0.7260 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 0.2300 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 1.1420 3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 1.7090 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 1.4050 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 2.8140 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 2.7750 0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 3.1500 -0.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9330 2.5340 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 2.7170 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 2.3320 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 2.3360 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.9570 3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 2.0550 2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 2.6160 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 2.1420 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 2.9880 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 4.2500 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 4.5600 -3.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 3.7110 -4.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 2.4950 -4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 2.0890 -3.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 4.6280 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 5.0230 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 6.3750 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 7.3480 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 6.9790 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 5.6270 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 9.0130 -1.7030 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 0.9750 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.0480 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 1.6170 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.0260 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.6500 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 1.6830 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 0.0740 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 2.7720 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 1.1870 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 1.6120 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 1.1570 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 0.6290 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 3.4780 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 3.2530 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 2.1420 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 4.9790 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 5.5300 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 1.8300 -5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 1.0920 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 4.2800 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 6.6600 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 7.7380 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 5.3660 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.3220 1.6260 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2780 2.2170 1.4740 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 33 1 0 0 0 0 2 34 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 53 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END