REMARK  Name = BDB019116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.648   0.515   0.157  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.016  -0.535   0.885  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1        0.360  -0.486   0.983  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.747  -1.546   1.764  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -0.276  -2.292   2.123  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1        1.136   0.524   0.390  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.554   1.498  -0.254  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -1.381  -1.665   1.588  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1       -0.824   1.460  -0.354  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.656   2.626   1.533  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.959   1.526   0.584  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.064   0.607  -0.019  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -3.848  -0.212  -0.810  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.509  -1.349  -1.704  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -5.136   0.220  -0.603  0.00  0.00    -0.266 N 
ATOM     16  N   LIG    1       -5.220   1.292   0.209  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1       -6.362  -0.361  -1.114  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.966  -1.346  -0.125  0.00  0.00    +0.179 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -8.110  -1.971  -0.707  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -8.475  -2.565  -0.027  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1        2.507   0.512   0.504  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.840   1.445   0.267  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.267  -0.451  -0.288  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.718  -0.360   0.075  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.581   0.575  -0.490  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.320   1.651  -1.476  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        6.761   2.037  -1.814  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        7.623   1.635  -0.725  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.910   0.651  -0.090  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.440  -0.179   0.876  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.596  -1.127   1.452  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.256  -1.209   1.053  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.470  -2.126   1.635  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
BRANCH   8  34
ATOM     34  C   LIG    1       -2.696  -2.198   1.792  0.00  0.00    +0.121 C 
ATOM     35  N   LIG    1       -3.765  -2.631   1.932  0.00  0.00    -0.189 NA
ENDBRANCH   8  34
TORSDOF 8