MMs01980380 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 2.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5896 1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 2.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1877 1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8218 -0.2655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5546 2.1468 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0554 1.2029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9438 -0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 -1.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4347 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3232 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8140 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4165 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5280 1.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0371 1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9073 0.6549 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 -0.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 3.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 -0.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 -1.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 3.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 3.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4655 -0.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5373 2.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8412 -2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5248 -1.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0099 2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3264 2.5000 0.0000 H 0 0 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END