REMARK  Name = BDB059078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.911  -0.674   0.044  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1        0.174  -1.639  -0.786  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.170  -1.986  -0.149  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -2.008  -0.780   0.314  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -2.915  -0.163  -0.721  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -4.194   0.019  -0.179  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -5.205   0.623  -0.919  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.935   1.051  -2.220  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.660   0.875  -2.764  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -4.331  -0.475   1.143  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -2.656   0.271  -2.010  0.00  0.00    +0.129 A 
ATOM     12  F   LIG    1       -1.442   0.143  -2.553  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.102  -1.284   1.309  0.00  0.00    +0.117 C 
ATOM     14  C   LIG    1       -1.127   0.278   1.009  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1        0.159   0.575   0.246  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  25
ATOM     16  O   LIG    1        4.990  -2.817   0.050  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.365  -1.774  -0.110  0.00  0.00    +0.256 A 
ATOM     18  C   LIG    1        5.027  -0.488  -0.392  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        6.514  -0.479  -0.571  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1        7.032   0.833  -1.164  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.343   2.032  -0.524  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.827   1.967  -0.723  0.00  0.00    +0.056 C 
ATOM     23  C   LIG    1        4.239   0.597  -0.468  0.00  0.00    +0.053 A 
ATOM     24  N   LIG    1        2.875   0.575  -0.316  0.00  0.00    -0.220 NA
ATOM     25  C   LIG    1        2.284  -0.565  -0.119  0.00  0.00    +0.198 A 
ATOM     26  N   LIG    1        3.006  -1.724  -0.033  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1        2.545  -2.579   0.219  0.00  0.00    +0.172 HD
ENDBRANCH   1  25
BRANCH  10  28
ATOM     28  C   LIG    1       -4.566   0.587   2.150  0.00  0.00    +0.133 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.056   0.643   2.511  0.00  0.00    +0.174 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -6.532  -0.675   2.788  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -6.101  -1.227   2.101  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4