REMARK  Name = BDB061331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.804   2.706  -0.418  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.251   3.744  -1.180  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1        3.139   2.483  -0.367  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        1.882   1.978   0.011  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1        1.814   0.806   0.768  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.985   0.140   1.148  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        4.239   0.623   0.771  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1        4.306   1.803   0.022  0.00  0.00    +0.036 A 
BRANCH   7   9
ATOM      9  N   LIG    1        5.395  -0.055   1.196  0.00  0.00    -0.149 NA
ATOM     10  N   LIG    1        6.046  -0.472   0.212  0.00  0.00    -0.149 NA
BRANCH  10  11
ATOM     11  C   LIG    1        7.199  -1.159   0.634  0.00  0.00    +0.086 A 
ATOM     12  C   LIG    1        8.206  -0.531   1.381  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        9.354  -1.231   1.758  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        9.510  -2.565   1.384  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        8.523  -3.197   0.630  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.375  -2.494   0.254  0.00  0.00    +0.029 A 
ENDBRANCH  10  11
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.512   2.300  -0.040  0.00  0.00    +0.233 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.069   1.278  -1.032  0.00  0.00    +0.076 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.466   0.842  -0.670  0.00  0.00    -0.044 A 
ATOM     20  C   LIG    1       -3.575   1.585  -1.097  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.867   1.195  -0.740  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.059   0.045   0.022  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.963  -0.673   0.494  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -2.670  -0.284   0.138  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -6.316  -0.304   0.423  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -7.055  -1.197  -0.443  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -7.397  -0.542  -1.788  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -6.352  -2.548  -0.635  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.375  -1.455   0.308  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -8.715  -1.016   1.396  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.226  -2.272  -0.354  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -9.997  -2.330   0.249  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10