REMARK  Name = BDB063856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.647  -0.894   1.571  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.362  -0.532   1.671  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.480  -1.051   2.751  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.752  -1.800   3.667  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.705  -0.455   2.466  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.510  -0.513   3.061  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.546   0.345   1.391  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.649   0.345   0.882  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        8.789   1.249  -1.634  0.00  0.00    +0.172 C 
ATOM     10  N   LIG    1        7.471   0.843  -1.209  0.00  0.00    -0.273 N 
ATOM     11  N   LIG    1        6.483   0.765  -2.125  0.00  0.00    -0.171 NA
ATOM     12  C   LIG    1        5.402   0.372  -1.430  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        5.765   0.206  -0.047  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.938  -0.192   0.998  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        3.612  -0.427   0.557  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        3.220  -0.284  -0.820  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.091   0.123  -1.860  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        7.092   0.513   0.061  0.00  0.00    +0.116 A 
ENDBRANCH   1  15
BRANCH   7  19
ATOM     19  N   LIG    1       -1.552   1.122   0.905  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.128   1.737   0.209  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.817   0.599   0.372  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.708  -0.029   1.466  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -5.046  -0.499   0.866  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -5.783   0.699   0.249  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.922   1.329  -0.856  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -4.640   0.282  -1.946  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -3.897  -0.921  -1.341  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -4.764  -1.542  -0.231  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.590   1.795  -0.249  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.563  -0.445  -0.739  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3