REMARK  Name = BDB027685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.127  -0.654  -0.024  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.909  -1.934   0.511  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.424  -2.258   0.765  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.655  -3.524   1.284  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.292  -4.457   1.567  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.567  -4.106   1.327  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.439  -1.413   0.534  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.130  -0.201   0.048  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.923  -2.876   0.808  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.118   0.204  -0.238  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.231   0.750  -0.192  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.987   2.056  -0.645  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.054   2.916  -0.857  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.342   2.576  -0.652  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.572   1.322  -0.215  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.570   0.393   0.024  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.446  -0.247  -0.329  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -2.841  -0.935  -0.967  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.590   1.106  -0.875  0.00  0.00    +0.130 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.484   2.192   0.201  0.00  0.00    +0.174 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.898   3.456  -0.318  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1       -3.866   3.430  -0.399  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5