REMARK  Name = BDB059638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.591   0.671   0.677  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -3.025   0.265   0.944  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.929   1.044   1.217  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.271  -1.116   0.865  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.315  -2.068   0.582  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -2.949  -3.285   0.617  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.288  -2.983   0.923  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.052  -1.652   0.353  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.283  -2.309   0.217  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.498  -1.672   1.077  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.692  -0.310   0.398  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.459   2.749   2.129  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -1.289   2.166   0.723  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -2.086   2.966  -0.314  0.00  0.00    +0.012 C 
ENDBRANCH   1  13
BRANCH   6  15
ATOM     15  C   LIG    1       -2.373  -4.564   0.389  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -1.888  -5.601   0.201  0.00  0.00    -0.191 NA
ENDBRANCH   6  15
BRANCH  11  17
ATOM     17  C   LIG    1        0.718  -0.017   0.171  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        1.468  -0.589  -0.787  0.00  0.00    +0.010 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.893  -0.293  -0.994  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        3.408   1.007  -0.898  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.764   1.252  -1.129  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.616   0.203  -1.468  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.112  -1.091  -1.582  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.756  -1.336  -1.352  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  11  17
TORSDOF 4