REMARK  Name = BDB064946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.361  -0.681  -0.696  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.097  -0.788  -0.071  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.094  -0.984  -0.788  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.033  -1.078  -2.181  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.192  -0.979  -2.835  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.365  -0.784  -2.101  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.379  -1.087  -0.076  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.611  -2.137   0.974  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        1.765  -2.970   1.283  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        3.848  -2.122   1.575  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        3.997  -2.834   2.279  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        4.839  -1.224   1.279  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        4.656  -0.264   0.358  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        3.376  -0.218  -0.337  0.00  0.00    +0.019 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.667   0.730  -0.038  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        5.379   2.201   0.142  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.389   1.527   1.022  0.00  0.00    +0.009 C 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -2.692  -0.451   0.180  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -2.974  -1.544   1.271  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -4.462  -1.568   0.867  0.00  0.00    -0.012 C 
ATOM     21  C   LIG    1       -5.439  -0.854   1.787  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -4.081  -0.835  -0.435  0.00  0.00    +0.022 C 
BRANCH  18  25
ATOM     23  C   LIG    1       -2.711   2.399  -1.349  0.00  0.00    +0.151 C 
ATOM     24  N   LIG    1       -2.692   2.205   0.073  0.00  0.00    -0.320 N 
ATOM     25  C   LIG    1       -2.679   1.027   0.769  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1       -2.625   1.300   2.058  0.00  0.00    -0.134 NA
ATOM     27  N   LIG    1       -2.622   2.667   2.207  0.00  0.00    -0.138 NA
ATOM     28  C   LIG    1       -2.658   3.195   1.007  0.00  0.00    +0.224 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4