REMARK  Name = BDB031562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.078   0.467  -0.338  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1        0.838  -0.926  -0.794  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.295  -1.336  -2.189  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.693  -0.631  -0.692  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -0.266   0.859  -0.803  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        2.130   1.214  -1.021  0.00  0.00    +0.121 C 
BRANCH   6  17
ATOM      7  C   LIG    1        9.747  -0.832   0.306  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        8.362  -0.456  -0.112  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        8.121  -0.323  -1.585  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1        9.013  -0.514  -2.405  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1        6.855   0.022  -1.982  0.00  0.00    -0.321 N 
ATOM     12  H   LIG    1        6.712   0.108  -2.979  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        5.806   0.248  -1.083  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        6.027   0.126   0.287  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1        5.076   0.330   1.221  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        3.846   0.665   0.759  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        3.518   0.802  -0.591  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.537   0.597  -1.529  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        7.359  -0.239   0.757  0.00  0.00    +0.038 A 
ENDBRANCH   6  17
ENDBRANCH   1   6
BRANCH   4  20
ATOM     20  O   LIG    1       -1.324  -1.062   0.545  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.593  -0.598   0.747  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -2.846   0.232   1.830  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1       -4.068   0.732   2.122  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1       -5.085   0.366   1.303  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -4.927  -0.481   0.207  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.653  -0.974  -0.070  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.434   0.919   1.633  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1       -7.464  -0.008   1.646  0.00  0.00    -0.301 N 
ATOM     29  H   LIG    1       -7.245  -0.998   1.601  0.00  0.00    +0.150 HD
ATOM     30  O   LIG    1       -6.595   2.111   1.871  0.00  0.00    -0.269 OA
BRANCH  28  31
ATOM     31  C   LIG    1       -8.804   0.364   2.006  0.00  0.00    +0.148 C 
ATOM     32  C   LIG    1       -9.978  -0.494   1.676  0.00  0.00    +0.269 C 
ATOM     33  F   LIG    1      -11.009  -0.643   2.573  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -9.789  -1.707   1.052  0.00  0.00    -0.204 F 
ATOM     35  C   LIG    1       -9.795   0.772   0.936  0.00  0.00    +0.105 C 
ENDBRANCH  28  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6