REMARK  Name = BDB040731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.194   1.061  -0.622  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.510   0.528  -1.883  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.568   1.485  -1.621  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.637   2.331  -0.890  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.861   1.200  -1.111  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.806   2.234  -1.045  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.094   1.995  -0.560  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.963   3.017  -0.511  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.485   0.732  -0.119  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.532  -0.288  -0.175  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.839  -1.512   0.283  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.244  -0.070  -0.672  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.878   0.496   0.427  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.560  -0.723  -0.201  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.464  -1.017  -1.393  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.379  -1.459   0.624  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -8.793  -2.281   0.202  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.757  -1.182   1.912  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.538  -1.909   2.518  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.221   0.100   2.501  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.831   0.388   1.958  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.495   0.252  -1.137  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.657   1.229  -0.686  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        2.122   1.997  -0.219  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.145  -0.805  -1.640  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.781   0.633  -0.935  0.00  0.00    -0.444 OA
BRANCH  26  32
ATOM     27  C   LIG    1        8.286   0.098   1.413  0.00  0.00    +0.133 C 
ATOM     28  N   LIG    1        8.307  -1.241   0.847  0.00  0.00    -0.292 N 
ATOM     29  C   LIG    1        7.188  -1.895   0.356  0.00  0.00    +0.305 C 
ATOM     30  N   LIG    1        6.122  -1.095  -0.004  0.00  0.00    -0.278 N 
ATOM     31  C   LIG    1        4.905  -1.643  -0.621  0.00  0.00    +0.155 C 
ATOM     32  C   LIG    1        4.769  -0.324  -1.394  0.00  0.00    +0.213 C 
ATOM     33  C   LIG    1        6.217  -0.013  -0.994  0.00  0.00    +0.155 C 
ATOM     34  O   LIG    1        7.143  -3.118   0.230  0.00  0.00    -0.252 OA
ATOM     35  C   LIG    1        9.522  -2.009   1.058  0.00  0.00    +0.133 C 
ENDBRANCH  26  32
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 5