MMs01423809 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -1.5000 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7524 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 1.2948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2476 -1.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -1.3088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7476 -1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 -2.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 1.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7427 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7476 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 -1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2524 1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 1.3060 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -1.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 1.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 -2.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3744 -1.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8731 0.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 1.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2475 -1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4475 -1.3279 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 36 37 1 0 0 0 0 M END