REMARK  Name = BDB047163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.085   0.815  -2.506  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.381   1.355  -1.915  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -2.525   0.439  -1.665  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.678   0.998  -1.117  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.801   0.204  -0.851  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -4.767  -1.160  -1.136  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.617  -1.726  -1.683  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.707   2.439  -0.819  0.00  0.00    +0.272 A 
ATOM      9  O   LIG    1       -4.701   2.974  -0.341  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.562   3.139  -1.109  0.00  0.00    -0.242 N 
ATOM     11  H   LIG    1       -2.566   4.135  -0.912  0.00  0.00    +0.192 HD
ATOM     12  C   LIG    1       -2.497  -0.931  -1.950  0.00  0.00    +0.010 A 
ATOM     13  N   LIG    1       -1.422   2.627  -1.642  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  C   LIG    1        1.888  -0.026   0.683  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        1.078   0.638  -0.255  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        0.775   0.075  -1.507  0.00  0.00    -0.040 A 
ATOM     17  C   LIG    1        1.328  -1.165  -1.833  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.133  -1.835  -0.915  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.407  -1.271   0.337  0.00  0.00    +0.023 A 
BRANCH  14  21
ATOM     20  C   LIG    1        2.788   0.394   3.044  0.00  0.00    +0.217 C 
ATOM     21  N   LIG    1        2.097   0.652   1.898  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        1.641   1.555   1.978  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.742   1.251   3.932  0.00  0.00    -0.275 OA
BRANCH  20  25
ATOM     24  C   LIG    1        4.263  -0.954   4.582  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        3.575  -0.883   3.225  0.00  0.00    +0.093 C 
ENDBRANCH  20  25
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 4