IBS-ZINC02133434 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -1.1740 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.1640 -2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.6370 -3.6610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3240 -1.6320 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.6950 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.7480 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -1.8180 -5.9050 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.1000 -5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 0.3100 -4.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 1.2800 -3.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -1.2790 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.5900 1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -1.7540 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -2.5710 4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.9880 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -2.6000 5.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.7900 4.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.3600 3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -0.5460 2.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -0.2670 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -0.1450 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 0.5630 0.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 0.3830 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.2790 -4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.9610 -5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.7220 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -1.4820 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -2.8000 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -3.2290 -6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -4.0400 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.8750 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -3.6220 6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -2.9340 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -1.4920 4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.0760 -5.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 0.7120 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 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 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 43 44 1 0 0 0 0 M END