REMARK  Name = BDB040650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.894   0.530  -0.923  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.300  -0.361  -0.178  0.00  0.00    +0.271 C 
ATOM      3  N   LIG    1       -2.656  -0.585   0.081  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1       -3.095  -1.942   0.337  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -2.323  -2.520   1.511  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1       -0.847  -2.327   1.309  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        0.060  -3.157   1.949  0.00  0.00    +0.115 A 
ATOM      8  N   LIG    1        1.394  -3.037   1.828  0.00  0.00    -0.261 NA
ATOM      9  C   LIG    1        1.851  -2.026   1.048  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        1.057  -1.097   0.379  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -0.336  -1.278   0.518  0.00  0.00    +0.066 A 
ENDROOT
BRANCH  10  12
ATOM     12  N   LIG    1        1.603  -0.038  -0.369  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1        0.917   0.423  -0.983  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.801   0.695  -0.274  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        3.227   1.444  -1.386  0.00  0.00    +0.145 A 
ATOM     16  F   LIG    1        2.462   1.473  -2.490  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        4.421   2.160  -1.389  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        5.227   2.132  -0.257  0.00  0.00    +0.016 A 
ATOM     19  I   LIG    1        7.013   3.190  -0.232  0.00  0.00    -0.044 I 
ATOM     20  C   LIG    1        4.837   1.399   0.864  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        3.632   0.683   0.851  0.00  0.00    +0.027 A 
ENDBRANCH  12  14
ENDBRANCH  10  12
BRANCH   3  22
ATOM     22  O   LIG    1       -3.469   0.001  -0.933  0.00  0.00    -0.275 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.112   1.172  -0.407  0.00  0.00    +0.218 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.771   2.364  -1.297  0.00  0.00    +0.186 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.437   2.809  -1.063  0.00  0.00    -0.393 OA
ATOM     26  H   LIG    1       -1.853   2.025  -1.174  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6