SIAL-ZINC04533844 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 0.7100 -0.0050 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.7610 -1.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5450 -0.0800 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -1.3130 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -2.4790 -0.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -0.5110 -1.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -1.0710 -1.5350 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4880 -1.8290 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 0.0440 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 0.5780 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 0.0480 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -1.6970 -2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -1.6780 -3.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -2.2780 -3.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -2.8870 -4.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0050 -3.3350 -4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -3.9680 -4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -5.0860 -3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 -5.0240 -3.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -1.8290 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -0.6840 -5.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 0.6510 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 0.5260 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.7580 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.7030 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 0.4360 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 0.8490 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3910 -0.3510 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 -2.2940 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -3.5390 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2290 -4.3590 -5.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -1.5170 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 1.6410 0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3180 -6.1500 -3.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -2.1590 -6.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -1.8650 -1.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.5100 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 1.3730 1.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 1.7740 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -1.4460 -7.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9640 -6.8420 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 1.9460 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 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 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 33 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 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 32 36 1 0 0 0 0 33 42 1 0 0 0 0 34 41 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END