IBS-ZINC03985007 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.4270 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.0370 -0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -0.6640 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.0300 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -2.1370 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -2.8480 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -4.1920 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -4.9540 0.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2980 -4.3850 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -6.2880 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -6.0340 2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -6.0360 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -5.7650 4.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -5.7120 5.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -5.5770 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -5.7320 2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -5.5890 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -5.2960 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -5.1390 4.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -5.2830 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -5.2110 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -4.8000 -2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -5.8970 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -6.1070 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.8200 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -4.0340 -0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -2.0620 -0.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -0.7240 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.0990 -0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.7170 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 1.8180 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 1.7980 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.7530 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -2.3260 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -4.6540 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -6.8190 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -6.8930 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -6.2240 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -5.7090 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -5.1850 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -4.9080 4.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -5.1570 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -6.6730 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -6.6620 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -5.1420 -3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -3.7980 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -2.4430 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -2.3970 -1.9630 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 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END