IBS-ZINC06760728 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 1.8140 3.6900 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 2.9830 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.8090 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 1.3760 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 2.0620 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 3.2390 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 1.3440 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 0.2460 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 0.2770 1.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -0.4070 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 1.7020 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 2.3240 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 1.7580 2.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 3.5690 2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 4.3650 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 5.8350 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 6.6080 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 8.0800 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 8.7480 3.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 7.9740 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 6.4980 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 10.2110 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0600 10.6450 3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 4.6040 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 3.3490 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.2600 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 3.8020 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -0.5500 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 0.8040 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 2.4020 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 3.9340 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 3.9250 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 4.2640 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 5.8770 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 6.1640 5.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 6.5300 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 8.1540 4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 8.6050 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 8.7570 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0830 8.0580 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 8.4060 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 6.4080 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 5.9860 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 10.8190 1.9310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 M CHG 1 44 -1 M END