REMARK  Name = BDB031218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.012  -1.344  -2.271  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.758  -0.004  -1.952  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.690   0.298  -1.092  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.249   1.525  -0.695  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        0.242   1.308   0.133  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -0.030  -0.061   0.240  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1        0.921  -0.721  -0.538  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.147  -2.068  -0.867  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.214  -2.358  -1.728  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.093  -0.680   0.965  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.370  -0.092   0.970  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.344  -0.737   1.695  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.099  -1.915   2.395  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -4.282  -2.299   3.015  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.437  -3.106   3.596  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.279  -1.362   2.704  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.437  -1.382   3.078  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -1.863  -2.513   2.412  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.680  -0.398   1.881  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -5.167   0.402   1.510  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -0.847  -1.881   1.683  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -0.419   2.391   0.871  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -0.564   2.352   2.265  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -1.198   3.397   2.941  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.678   4.498   2.232  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.515   4.560   0.850  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -0.882   3.515   0.174  0.00  0.00    +0.011 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        5.527  -1.124  -5.092  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        4.531  -0.796  -4.102  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        3.936   0.001  -4.283  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        4.128  -1.736  -3.176  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        4.616  -2.858  -3.095  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3