IBS-ZINC04957681 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 1.0150 0.2700 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -1.1020 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -1.3960 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -2.7080 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -3.0050 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -1.9950 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -0.6860 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -0.3840 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -2.3210 -0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9760 -3.2930 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -2.3280 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -1.3350 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4570 -0.7120 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 0.1830 0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -1.2850 0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -0.9320 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 0.1500 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 1.4740 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 2.1150 2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 1.1430 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -0.0450 2.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -1.0360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -3.1430 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 -3.9610 -2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -3.1230 -3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 -2.9560 -4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -2.9380 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2990 -3.0830 -6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 -3.2480 -4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2270 -3.2750 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 0.3650 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.6290 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 0.8620 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -3.4980 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -4.0260 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 0.1000 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 0.6390 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -0.5710 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 -1.8110 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 1.9560 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 3.1790 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.2930 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8150 -4.4930 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -2.8420 -5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -2.8090 -7.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8690 -3.0680 -7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0220 -3.3600 -4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 -3.4090 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 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 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 22 2 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 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END