REMARK  Name = BDB004590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.747  -1.587  -1.107  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.017  -0.973  -0.070  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.172   0.094  -0.421  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.475   0.724   0.632  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.583   0.313   1.904  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.387  -0.722   2.132  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.044   0.486  -1.778  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.720  -0.169  -2.800  0.00  0.00    +0.026 A 
ATOM      9  N   LIG    1       -2.115  -1.373   1.218  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -2.614  -1.168  -2.447  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.956  -3.105   0.402  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.553  -3.905   0.558  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.432  -2.707   1.176  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -3.709  -2.709  -0.879  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -4.273  -3.274  -1.811  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  N   LIG    1       -1.673   0.316  -4.108  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -0.805   0.785  -4.352  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -1.949  -0.363  -4.814  0.00  0.00    +0.142 HD
ENDBRANCH   8  16
BRANCH   4  19
ATOM     19  N   LIG    1        0.353   1.830   0.340  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -0.227   2.553  -0.075  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.148   2.363   1.443  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.429   1.582   1.627  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.411   1.577   0.625  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.599   0.865   0.799  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.817   0.149   1.974  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.846   0.141   2.975  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.658   0.853   2.802  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5