REMARK  Name = BDB042595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.427  -0.135  -2.268  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.013  -0.892  -1.011  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.199  -0.524  -0.428  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.553  -1.129   0.854  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.053  -1.411   0.959  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        3.874  -0.241   0.484  0.00  0.00    -0.038 C 
ATOM      7  C   LIG    1        3.322   0.713  -0.287  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.909   0.701  -0.788  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.701  -1.811  -0.564  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.287  -0.155   0.899  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.322  -0.037  -0.044  0.00  0.00    +0.133 A 
ATOM     12  F   LIG    1        6.042  -0.003  -1.357  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        7.656   0.038   0.343  0.00  0.00    +0.077 A 
ATOM     14  C   LIG    1        7.967  -0.004   1.693  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        9.247   0.069   2.078  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.969  -0.118   2.655  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        5.630  -0.194   2.259  0.00  0.00    +0.014 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.835  -0.495  -2.749  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -5.227  -1.889   1.125  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.433  -0.441   0.770  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -4.675   0.206  -0.229  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -4.920   1.568  -0.502  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.122   2.255  -1.547  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1       -3.171   1.496  -2.191  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.651   1.986  -2.909  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -2.917   0.171  -1.931  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -4.295   3.436  -1.824  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.897   2.284   0.193  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -6.634   1.635   1.168  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -7.575   2.308   1.843  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -3.630  -0.483  -1.001  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -6.414   0.292   1.462  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 4