IBS-ZINC05501266 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.9340 1.2790 2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.1370 2.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 -0.6610 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 0.0500 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.6140 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -1.9980 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -2.7190 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -2.0430 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -4.1720 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -4.7940 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -6.2630 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -6.9870 0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -6.6600 -0.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -5.6470 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -5.7260 -1.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -4.0920 -0.2780 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -8.1170 -0.6720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2310 -8.6560 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -8.4970 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -8.1280 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -8.6710 -4.6480 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -8.0910 -5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -8.6840 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -8.2620 1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -2.7270 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -2.0190 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 1.5370 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.7490 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 1.6650 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 1.1250 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8450 -0.0150 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -2.5940 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -4.7460 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -8.0190 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -9.5800 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -8.6090 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -7.0450 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9130 -8.5810 -4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -7.0070 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -8.3360 -6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.7470 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -1.5320 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -1.2980 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -9.5170 -0.3690 O 0 5 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 44 -1 M END