REMARK  Name = BDB042569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.475   0.598   0.882  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.302   1.476   1.036  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.379   0.943   2.143  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.900  -0.416   1.861  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.360  -0.782   2.310  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.035  -0.038   3.021  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.771  -1.260   1.033  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.258  -0.852   1.048  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        4.250   0.897  -1.469  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1        4.410   0.994  -0.074  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        5.615   1.540   0.395  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        6.603   1.963  -0.492  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1        7.742   2.479  -0.011  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.428   1.859  -1.866  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.243   1.322  -2.362  0.00  0.00    +0.046 A 
BRANCH   9  17
ATOM     16  C   LIG    1        2.128  -0.063  -2.538  0.00  0.00    +0.135 C 
ATOM     17  N   LIG    1        3.088   0.372  -2.024  0.00  0.00    -0.348 NA
ENDBRANCH   9  17
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  C   LIG    1       -0.860  -2.161   1.905  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.375  -2.316   2.076  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.269  -1.619   1.065  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.618  -1.811   1.256  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -4.945  -2.368   2.037  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.622  -1.283   0.474  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -6.796  -1.518   0.732  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.192  -0.442  -0.668  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -3.816  -0.234  -0.887  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -3.400   0.566  -1.976  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -4.370   1.138  -2.818  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.728   0.924  -2.588  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -1.947   0.829  -2.274  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -6.134   0.137  -1.517  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1       -7.450  -0.042  -1.338  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.853  -0.863   0.035  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5