REMARK  Name = BDB029533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.893   1.145   0.176  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.822   0.655  -0.139  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.529   0.115  -1.347  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.237  -0.044  -2.046  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.336  -0.531  -1.345  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -2.978  -1.350  -2.174  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.530  -0.044  -0.156  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.741  -1.196   0.480  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1       -0.344  -1.321  -0.126  0.00  0.00    +0.106 C 
ATOM     10  N   LIG    1        0.412  -0.086   0.108  0.00  0.00    -0.330 N 
ATOM     11  C   LIG    1       -0.322   1.180   0.177  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -1.612   1.099  -0.637  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.643   0.469   0.775  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.799  -0.102   0.173  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.556  -1.142  -0.397  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.956  -1.167  -0.334  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.632  -0.133   0.315  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        3.917   0.915   0.895  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        2.518   0.920   0.818  0.00  0.00    +0.025 A 
BRANCH  17  20
ATOM     20  N   LIG    1        6.098  -0.149   0.388  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        6.691  -1.106  -0.130  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.657   0.796   0.963  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH  10  14
TORSDOF 2