REMARK  Name = BDB046835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.508  -0.533   0.710  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.827  -0.391  -0.125  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -1.920   0.680  -0.675  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -0.664   0.081  -1.337  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1       -0.032  -1.023  -0.575  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1       -1.020  -2.106  -0.393  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1       -2.405  -1.664  -0.013  0.00  0.00    -0.007 C 
BRANCH   2   9
ATOM      8  C   LIG    1       -4.451   0.894   1.329  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -4.195  -0.004   0.271  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -5.274  -0.550  -0.446  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -6.588  -0.210  -0.125  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.837   0.678   0.915  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.776   1.228   1.639  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -3.588   2.267   3.086  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.357   1.374   2.005  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.449  -1.524   1.418  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.481  -2.221   0.528  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.344  -1.254  -0.245  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1        2.793  -0.761  -1.396  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.821  -0.972  -1.607  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        3.399   0.188  -2.176  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        2.843   0.709  -3.135  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.763   0.561  -1.764  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.264  -0.019  -0.594  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.553   0.323  -0.180  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.322   1.227  -0.920  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.807   1.800  -2.084  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.521   1.469  -2.511  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.520  -0.926   0.181  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6