REMARK  Name = BDB006936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.562   0.311   0.842  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.171  -0.861   1.008  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.572  -0.971   0.920  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.968  -2.285   1.133  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.310  -2.589   1.087  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.256  -1.659   0.841  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.849  -0.374   0.628  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.799  -3.196   1.385  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.687  -4.273   0.300  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.879  -3.841   2.773  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.509   0.010   0.662  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.385  -2.196   1.301  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.053   1.404   0.587  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.094   0.136   0.956  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -6.677   0.865   0.779  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -5.274   1.055   0.201  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -5.285   2.161  -0.770  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -6.082   2.777  -0.622  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -4.049   2.954  -0.715  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1       -2.748   2.150  -0.424  0.00  0.00    +0.137 C 
ATOM     21  N   LIG    1       -2.842   1.408   0.885  0.00  0.00    -0.283 NA
ATOM     22  C   LIG    1       -4.238   1.243   1.338  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.317   1.386  -1.704  0.00  0.00    +0.359 C 
ATOM     24  F   LIG    1       -2.358   2.203  -2.789  0.00  0.00    -0.208 F 
ATOM     25  F   LIG    1       -3.141   0.340  -1.968  0.00  0.00    -0.208 F 
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.923   0.649   0.333  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.967   1.081  -1.115  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        4.492   2.342  -1.503  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.526   2.728  -2.844  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.033   1.860  -3.809  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.504   0.603  -3.435  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.471   0.214  -2.096  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 5