REMARK  Name = BDB005608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.675   1.817   1.594  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        3.684   1.122   0.289  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1        2.854  -0.006   0.085  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.395   0.060   0.377  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        0.648  -1.126   0.398  0.00  0.00    +0.051 A 
ATOM      6  N   LIG    1        1.253  -2.329   0.028  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        0.713  -3.182  -0.014  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        2.524  -2.406  -0.463  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        2.978  -3.466  -0.886  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.715  -1.129   0.709  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -1.388   0.078   0.944  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1       -0.672   1.275   0.845  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        0.697   1.263   0.549  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.337  -1.160  -0.426  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.729  -1.248  -0.981  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.208   0.133  -1.419  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        5.059   1.122  -0.274  0.00  0.00    +0.105 C 
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1       -2.866   0.081   1.272  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.696  -0.521   0.217  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -3.630   0.260  -1.041  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1       -4.872   0.043  -1.917  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -6.075   0.509  -1.289  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -6.034   0.422   0.141  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -5.099  -0.684   0.653  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  11  18
TORSDOF 2