MMs01621769 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 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 -1.5000 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 2.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7394 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 3.9031 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7605 1.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7393 -1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9998 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7392 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2391 -1.3662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1307 -0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6788 1.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5534 -0.6351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.5534 0.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8585 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1514 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1392 -2.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8341 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5412 -2.1350 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.5412 -3.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1109 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6358 -4.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 -1.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 3.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 1.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3689 2.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8011 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1307 0.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -1.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9379 -2.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0947 1.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6374 1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1955 -0.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1735 -2.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5979 -3.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0553 -3.8085 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 24 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 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 M END