REMARK  Name = BDB047075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.721   0.330  -0.763  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.565   1.100  -0.634  0.00  0.00    +0.223 A 
ATOM      3  C   LIG    1       -0.782   2.273  -1.332  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.069   2.119  -1.879  0.00  0.00    +0.142 A 
ATOM      5  N   LIG    1       -2.639   0.961  -1.555  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.503  -2.805   0.093  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -3.238  -1.545  -0.449  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -1.998  -0.962  -0.203  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -1.044  -1.584   0.541  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -1.330  -2.801   1.051  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.533  -3.449   0.858  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.723  -2.929  -0.825  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.824  -3.420  -0.170  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.956  -4.629   0.404  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.861  -4.910   0.151  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.486   0.741   0.109  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.516   0.079  -0.632  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.679  -0.223   0.285  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        2.461  -0.801   1.547  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        3.536  -1.106   2.383  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.831  -0.841   1.955  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        5.864  -1.135   2.756  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        5.071  -0.280   0.706  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        3.997   0.026  -0.131  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
BRANCH   3  25
ATOM     25  C   LIG    1        0.129   3.442  -1.472  0.00  0.00    +0.070 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.361   4.180  -0.157  0.00  0.00    +0.160 C 
BRANCH  26  27
ATOM     27  O   LIG    1        1.172   5.326  -0.397  0.00  0.00    -0.395 OA
ATOM     28  H   LIG    1        1.332   5.742   0.468  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9