REMARK  Name = BDB057779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.725  -0.341   0.039  0.00  0.00    +0.032 C 
ATOM      2  C   LIG    1       -1.196  -1.777   0.295  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.276  -1.761   0.702  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        1.121  -1.292  -0.393  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1        0.492  -0.309  -1.275  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -0.594   0.520  -0.588  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.059  -0.314  -0.797  0.00  0.00    +0.119 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.699   1.090  -0.968  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -4.697   1.296  -1.945  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -5.316   2.539  -2.108  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.962   3.606  -1.291  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.995   3.428  -0.307  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.376   2.184  -0.143  0.00  0.00    +0.007 A 
ENDBRANCH   7   8
BRANCH   7  14
ATOM     14  C   LIG    1       -4.092  -1.295  -0.191  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -4.860  -0.925   0.930  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -5.784  -1.807   1.496  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.952  -3.081   0.962  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.191  -3.477  -0.133  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.267  -2.596  -0.701  0.00  0.00    +0.007 A 
ENDBRANCH   7  14
BRANCH   7  20
ATOM     20  O   LIG    1       -2.691  -0.732  -2.126  0.00  0.00    -0.379 OA
ATOM     21  H   LIG    1       -3.500  -1.028  -2.569  0.00  0.00    +0.211 HD
ENDBRANCH   7  20
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        2.501  -0.990  -0.005  0.00  0.00    +0.087 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.698   0.293   0.817  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.159   0.479   1.228  0.00  0.00    +0.230 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.952   0.651   0.055  0.00  0.00    -0.492 OA
BRANCH  25  26
ATOM     26  C   LIG    1        6.299   0.814   0.230  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.969   0.866   1.453  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1        8.357   1.038   1.486  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.079   1.161   0.300  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.414   1.111  -0.923  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.029   0.939  -0.955  0.00  0.00    +0.045 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9