REMARK  Name = BDB002070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.734  -0.517   0.288  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.897   0.853   0.612  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.228   1.341   0.670  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.435   2.680   0.972  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.377   3.554   1.232  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.073   3.084   1.200  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -3.311   0.572   0.454  0.00  0.00    -0.251 NA
ATOM      8  C   LIG    1       -3.094  -0.722   0.176  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.186  -1.732  -0.030  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.410  -2.858  -0.725  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1       -1.962  -2.768  -0.217  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        0.168   1.745   0.897  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -1.849  -1.308   0.078  0.00  0.00    -0.013 A 
ENDROOT
BRANCH   1  15
ATOM     14  O   LIG    1        0.913  -2.071   0.894  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        0.594  -1.150   0.155  0.00  0.00    +0.245 C 
ATOM     16  N   LIG    1        1.375  -0.650  -0.859  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1        1.070   0.170  -1.367  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.752  -1.054  -1.023  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.610  -0.068  -0.323  0.00  0.00    +0.122 A 
ATOM     20  O   LIG    1        3.889   1.089  -0.992  0.00  0.00    -0.466 OA
ATOM     21  C   LIG    1        4.667   1.842  -0.172  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1        4.885   1.190   1.019  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        4.199  -0.044   0.925  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  15
TORSDOF 3