REMARK  Name = BDB027619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.035   0.115  -0.293  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        1.515   1.361  -0.155  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        0.667   2.298   0.291  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.669   2.035   0.596  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.485   3.083   1.089  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.944   4.346   1.238  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.332   4.636   0.934  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -1.085   0.706   0.389  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        1.091   3.605   0.478  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.233  -0.240  -0.036  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        2.456  -3.212  -1.367  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1        3.739  -2.936  -1.674  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1        4.131  -1.656  -1.524  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        3.298  -0.640  -1.083  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.962  -0.930  -0.766  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        1.550  -2.263  -0.919  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   8  17
ATOM     17  N   LIG    1       -2.447   0.376   0.657  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -3.026   1.031   0.136  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.004  -0.983   0.691  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -2.256  -2.220   1.088  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -2.719  -2.038  -0.335  0.00  0.00    +0.024 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 3