REMARK  Name = BDB005553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.098   1.213   2.222  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.982   1.041   1.057  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -2.834  -0.034   0.146  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.489  -0.552  -0.243  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.401  -1.773  -0.926  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1       -2.565  -2.419  -1.343  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1       -2.517  -3.272  -1.883  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.808  -1.877  -1.208  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1       -4.793  -2.427  -1.694  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.167  -2.335  -1.267  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.014  -1.650  -0.981  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        0.956  -0.392  -0.389  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1       -0.289   0.146  -0.036  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -3.914  -0.621  -0.417  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.298  -0.059  -0.257  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -5.243   1.419   0.112  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -4.321   1.619   1.303  0.00  0.00    +0.105 C 
ENDROOT
BRANCH  12  18
ATOM     18  O   LIG    1        2.023   0.406  -0.083  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.311   0.083  -0.625  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1        4.062  -0.888   0.298  0.00  0.00    +0.059 C 
ATOM     21  C   LIG    1        5.019  -0.150   1.228  0.00  0.00    +0.084 C 
ATOM     22  N   LIG    1        6.031   0.625   0.510  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1        6.868   0.064   0.354  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        5.570   1.183  -0.761  0.00  0.00    +0.084 C 
ATOM     25  C   LIG    1        4.066   1.410  -0.787  0.00  0.00    +0.059 C 
ENDBRANCH  18  19
ENDBRANCH  12  18
TORSDOF 2