MMs02457694 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 39 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 1.2971 -0.7534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -2.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -3.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -0.7466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 -3.2474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 -4.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 -4.4664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8886 -2.9318 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2886 -1.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0059 -3.9326 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8544 -4.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -3.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3422 -2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9873 -1.7128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6767 -0.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 -1.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9881 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4562 -0.9035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4570 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9897 1.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9250 -0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9258 1.0230 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.6749 -3.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -5.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0031 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4183 -5.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9688 0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4348 0.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8299 -2.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4783 -1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9443 -0.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8034 -4.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -5.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 M END