REMARK  Name = BDB005628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.359  -0.839   1.077  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.227  -0.026   0.324  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.704   1.184  -0.165  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -2.501   2.029  -0.945  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -2.127   2.895  -1.306  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.796   1.761  -1.277  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -4.374   0.496  -0.754  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.816   0.217  -1.093  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.238  -1.224  -0.784  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.656  -1.690   0.546  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.215  -1.507   0.516  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.714  -1.864   1.332  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -4.451   2.538  -1.965  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.390   1.581   0.107  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.451   0.775   0.884  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.645  -0.346   0.006  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.050  -0.435   1.375  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.335  -3.115   0.773  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.778  -2.039   1.607  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        1.864   1.214   1.202  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.663   1.496  -0.001  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.965   0.283  -0.797  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1        4.018  -0.648  -0.154  0.00  0.00    +0.130 C 
ATOM     24  C   LIG    1        4.364  -1.800  -1.087  0.00  0.00    +0.039 C 
ATOM     25  O   LIG    1        5.233   0.069   0.120  0.00  0.00    -0.371 OA
ATOM     26  C   LIG    1        4.989   1.198   0.973  0.00  0.00    +0.130 C 
ATOM     27  C   LIG    1        6.318   1.912   1.181  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        3.946   2.149   0.342  0.00  0.00    +0.116 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3