REMARK  Name = BDB038972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.897   0.782  -0.496  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.855  -0.117  -0.349  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.568   0.420   0.077  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.414  -0.543  -0.042  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.594  -1.880  -0.467  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.501  -2.751  -0.582  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.204  -2.343  -0.259  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.042  -1.024   0.177  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.063  -0.287   0.560  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.631   0.969   0.934  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.671   1.077   0.751  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.971  -2.356  -0.858  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.105  -0.139   0.292  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.066  -1.547  -0.167  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.767   1.999  -0.435  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.498   2.079   1.462  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.504   3.281   0.503  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.514   4.268   1.105  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.758   4.123   2.596  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -0.961   2.626   2.800  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  22
ATOM     21  C   LIG    1        8.189   1.066  -0.884  0.00  0.00    +0.282 C 
ATOM     22  O   LIG    1        7.092   0.167  -0.718  0.00  0.00    -0.454 OA
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -2.422  -0.810   0.569  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.052  -0.875  -0.831  0.00  0.00    +0.147 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.257  -1.805  -0.873  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1       -5.335  -1.657   0.014  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.428  -2.525  -0.045  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.460  -3.545  -0.992  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.402  -3.698  -1.884  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.308  -2.833  -1.828  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1       -3.399   0.495  -1.373  0.00  0.00    +0.314 C 
ATOM     32  O   LIG    1       -3.194   0.886  -2.511  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -4.046   1.294  -0.501  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -4.245   2.095  -1.034  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 7