REMARK  Name = BDB063205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.876   0.564   0.657  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -0.695  -0.334   1.087  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.141   1.657   1.065  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.281   2.785   0.602  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.775   0.615  -0.490  0.00  0.00    +0.117 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -7.232   1.297   1.494  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -5.843   1.104   0.963  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -5.181  -0.116   1.130  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.874  -0.285   0.665  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -3.201   0.764   0.021  0.00  0.00    -0.026 A 
ATOM     11  C   LIG    1       -3.860   1.995  -0.115  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -5.166   2.163   0.351  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   5  13
ATOM     13  C   LIG    1       -1.581  -0.605  -1.417  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -2.390  -0.500  -2.711  0.00  0.00    +0.021 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -0.114  -0.725  -1.761  0.00  0.00    +0.310 C 
ATOM     16  O   LIG    1        0.493  -0.124  -2.630  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        0.521  -1.589  -0.940  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        1.475  -1.482  -1.150  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.899   1.337   2.125  0.00  0.00    +0.130 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.979   0.414   1.605  0.00  0.00    -0.038 A 
ATOM     21  C   LIG    1        2.743   0.779   0.486  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.719  -0.081  -0.039  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.521   0.369  -1.237  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1        5.259  -0.774  -1.929  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.988  -1.635  -0.905  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.991  -2.282   0.055  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1        3.965  -1.313   0.590  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1        3.205  -1.674   1.712  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.225  -0.818   2.218  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7