MMs02790535 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 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 1.2958 0.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 2.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5049 -2.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8006 -1.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 0.7893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 -1.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1366 1.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6945 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 -2.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0032 -2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2990 -2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2925 -0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6013 -2.9326 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 1.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0631 1.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -2.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 -3.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -2.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 1.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 1.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 -2.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0084 -4.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3292 -0.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 1.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 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 35 1 0 0 0 0 21 36 1 0 0 0 0 M END