REMARK  Name = BDB031282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.244  -1.677   0.544  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.926  -0.545   0.133  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.425   0.089  -0.477  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.705  -2.646   1.132  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.280  -0.226   0.374  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.775   0.936  -0.243  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -4.091   1.263  -0.009  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1       -4.916   0.492   0.804  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -6.171   1.088   0.833  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -6.987   0.771   1.331  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -6.141   2.240   0.035  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1       -7.061   3.009  -0.172  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1       -4.466  -0.645   1.425  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -4.840   2.336  -0.482  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.538   3.074  -1.096  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.127  -1.000   1.202  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  19
ATOM     17  C   LIG    1        3.353  -0.589  -0.030  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        1.998  -0.553   0.325  0.00  0.00    +0.036 A 
ATOM     19  C   LIG    1        1.196  -1.695   0.175  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.750  -2.885  -0.301  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        3.095  -2.922  -0.658  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.890  -1.779  -0.528  0.00  0.00    +0.023 A 
BRANCH  17  25
ATOM     23  C   LIG    1        5.893   2.193   0.217  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.432   0.805  -0.154  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1        4.100   0.594   0.158  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1        3.605   1.377   0.566  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        6.196   0.016  -0.697  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  19
TORSDOF 3