REMARK  Name = BDB050657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.583   0.059  -0.822  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        0.615   0.121  -1.832  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.572  -0.612  -1.721  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.808  -1.394  -0.591  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.162  -1.451   0.417  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.350  -0.723   0.312  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.803   0.892  -0.957  0.00  0.00    +0.197 C 
ATOM      8  O   LIG    1        2.666   2.030  -1.401  0.00  0.00    -0.287 OA
BRANCH   7  11
ATOM      9  C   LIG    1        4.028  -2.188  -1.220  0.00  0.00    +0.087 C 
ATOM     10  C   LIG    1        4.561  -0.933  -0.645  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.091   0.369  -0.532  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        5.164   1.118   0.049  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.182   0.207   0.296  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        7.405   0.532   0.879  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        7.595   1.874   1.224  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.600   2.826   0.990  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.378   2.465   0.404  0.00  0.00    +0.012 A 
ATOM     18  O   LIG    1        5.813  -1.033  -0.116  0.00  0.00    -0.459 OA
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1       -1.929  -2.132  -0.335  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.039  -2.041  -1.226  0.00  0.00    +0.227 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.882  -0.794  -0.940  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.279  -0.729   0.536  0.00  0.00    -0.073 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.090   0.532   0.907  0.00  0.00    +0.374 N 
ATOM     24  C   LIG    1       -5.443   0.432   2.396  0.00  0.00    -0.093 C 
ATOM     25  C   LIG    1       -6.388   0.625   0.116  0.00  0.00    -0.093 C 
ATOM     26  C   LIG    1       -4.268   1.801   0.702  0.00  0.00    -0.093 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7