IBS-ZINC05342211 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -0.0060 1.4810 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.0490 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.5850 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.1160 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -2.6030 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -2.0820 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.5510 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -3.5360 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -4.0480 1.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -4.9560 2.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -5.5430 3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -5.0200 2.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -6.8200 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 -7.8480 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -7.7830 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -7.1490 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -7.0920 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 -7.6610 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7380 -8.2910 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 -8.3600 2.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 -7.6010 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -6.9160 4.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -7.6580 5.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -6.1660 4.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -5.2760 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -4.2800 3.2080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 1.8390 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.8630 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 1.8300 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -0.3980 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -0.2080 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.2560 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.4470 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -2.5050 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -2.4100 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.4490 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -0.2230 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -0.1500 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -4.1510 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -8.7030 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -6.7070 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -6.6040 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7200 -8.7300 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1490 -8.8530 3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -8.3490 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 40 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 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 M END