REMARK  Name = BDB007289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.646   2.068   0.229  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.644   1.165  -0.094  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.022   1.164  -1.350  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        0.009   0.185  -1.480  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1        0.188  -0.391  -2.305  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1        0.129  -0.558  -0.270  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1        1.376   2.076  -2.329  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.381   2.996  -2.037  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.991   0.069   0.629  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1        1.153  -0.207   1.805  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        3.005   2.990  -0.778  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.002  -1.373   0.168  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -2.175  -0.511   0.652  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -3.347  -1.389   1.079  0.00  0.00    +0.083 C 
ATOM     15  N   LIG    1       -3.766  -2.299   0.011  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -4.094  -1.752  -0.786  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -2.665  -3.164  -0.414  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -1.469  -2.357  -0.909  0.00  0.00    +0.042 C 
ENDBRANCH   6  12
BRANCH   1  22
ATOM     19  N   LIG    1        3.073   1.357   2.555  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        2.326   0.665   2.542  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        3.596   1.458   3.413  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        3.394   2.168   1.512  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1        4.304   2.981   1.642  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 2