REMARK  Name = BDB018242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.739   0.659   1.381  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -2.320  -0.162   0.284  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -3.636  -0.444   0.335  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -4.531   0.082   1.391  0.00  0.00    +0.253 A 
ATOM      5  O   LIG    1       -5.720  -0.225   1.376  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -3.933   0.911   2.327  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -4.737   1.464   3.404  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -2.573   1.157   2.318  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   2   9
ATOM      9  N   LIG    1       -1.500  -0.626  -0.763  0.00  0.00    -0.325 N 
ATOM     10  C   LIG    1       -1.704  -1.924  -1.444  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -2.316  -1.717  -2.836  0.00  0.00    +0.178 C 
ATOM     12  O   LIG    1       -1.503  -0.848  -3.641  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1       -1.357   0.431  -3.001  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -0.712   0.304  -1.611  0.00  0.00    +0.133 C 
ENDBRANCH   2   9
BRANCH   1  18
ATOM     15  N   LIG    1        1.854   0.647   1.530  0.00  0.00    -0.264 N 
ATOM     16  N   LIG    1        1.675   1.970   1.756  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        0.347   2.116   1.732  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -0.329   0.899   1.505  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        0.674  -0.040   1.426  0.00  0.00    +0.117 A 
BRANCH  15  21
ATOM     20  C   LIG    1        4.285   0.827   2.138  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        3.193   0.071   1.372  0.00  0.00    +0.134 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.526  -0.084  -0.105  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1        3.638   1.034  -0.949  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.925   0.877  -2.306  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.104  -0.398  -2.838  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.997  -1.516  -2.014  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.710  -1.362  -0.656  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4