REMARK  Name = BDB000438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.749   0.138  -0.633  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -3.245   0.073  -0.589  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.807  -1.026   0.157  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.456  -1.268   0.361  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.529  -0.393  -0.212  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.976   0.704  -0.970  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.967  -1.804   0.694  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.338   0.948  -1.161  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.102  -1.309  -0.215  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.287   1.193   0.329  0.00  0.00    +0.128 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -7.625   0.879   0.906  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -6.770   1.349   0.174  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -7.110   2.077  -0.905  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -8.090   2.100  -0.881  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.833  -0.491  -0.113  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.352  -1.565   0.671  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.873  -1.480   0.663  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.375  -0.188   1.306  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        4.804  -0.166   1.330  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.466   0.374   0.263  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.897   0.801  -0.937  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        5.704   1.330  -1.950  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.082   1.432  -1.770  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.657   1.002  -0.578  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.851   0.474   0.432  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9