REMARK  Name = BDB005603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.984  -3.182  -0.079  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.314  -2.153  -0.099  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -2.910  -0.819   0.175  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -4.385  -0.786   0.479  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -4.834   0.554   1.073  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -4.198   1.717   0.322  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -2.748   1.558   0.319  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -2.268   2.304  -0.177  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.168   0.306   0.130  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -0.712   0.207  -0.137  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.162  -1.054  -0.413  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        1.201  -1.213  -0.688  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.057  -0.104  -0.678  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1        1.521   1.155  -0.378  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.156   1.307  -0.105  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -0.982  -2.186  -0.396  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.600  -3.104  -0.576  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        3.527  -0.266  -0.973  0.00  0.00    +0.158 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.342  -0.075   0.214  0.00  0.00    -0.332 N 
ATOM     20  C   LIG    1        4.476  -0.961   1.245  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1        5.327  -0.524   2.145  0.00  0.00    -0.244 NA
ATOM     22  C   LIG    1        5.756   0.691   1.678  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        5.162   0.989   0.474  0.00  0.00    +0.107 A 
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 2