MMs00031630 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 51 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 -0.7424 -1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 -1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2575 1.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7575 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 2.5980 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.4844 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 1.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5772 -0.8293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9326 -0.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1668 -1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0456 -2.5342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6902 -3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -2.3244 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4560 -3.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2119 -3.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4263 -4.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7816 -2.7119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2798 -3.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1587 -4.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6352 -2.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7564 -1.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1118 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3460 -1.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2248 -2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8694 -3.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 -2.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 2.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7757 0.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 0.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7473 -1.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3848 -4.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8472 -4.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -3.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6352 -3.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1590 -1.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4384 -0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4172 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9548 0.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8461 -0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5070 -1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4195 -2.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5428 -4.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0263 -4.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5640 -4.5752 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 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 15 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 20 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END