REMARK  Name = BDB040720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.305  -0.342  -0.456  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        3.950   0.424   0.654  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1        4.751   0.448   1.729  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.782   1.185   0.677  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.918   1.198  -0.423  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.275   0.446  -1.547  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.447  -0.311  -1.554  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1        3.749  -1.012  -2.656  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        9.146  -2.582   1.054  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        8.098  -2.112   0.622  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        6.884  -2.500   1.129  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        6.915  -3.183   1.873  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.630  -2.178   0.666  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        4.640  -2.742   1.129  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        5.567  -1.174  -0.484  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        6.815  -0.283  -0.495  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        8.064  -1.148  -0.539  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        0.741   1.973  -0.411  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1       -0.443   1.764  -1.203  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -1.164   2.721  -0.232  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1       -0.018   2.381   0.738  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -2.504   2.299   0.207  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -2.714   2.064   1.167  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -3.545   2.139  -0.658  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -3.495   2.333  -1.862  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.635   1.729   0.032  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.787   1.475  -0.787  0.00  0.00    +0.238 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.923   0.945   0.087  0.00  0.00    +0.076 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.679  -0.470   0.556  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -7.038  -1.558  -0.252  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.796  -2.865   0.174  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.192  -3.097   1.408  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.827  -2.022   2.217  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.068  -0.715   1.793  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 7