REMARK  Name = BDB059857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.703  -1.705   2.229  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.845  -2.374   1.352  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        0.368  -1.793   0.967  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.760  -0.531   1.441  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.109   0.129   2.313  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.324  -0.448   2.708  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.976   0.001   1.002  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        2.560  -0.598   0.437  0.00  0.00    +0.155 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.602   1.237   1.138  0.00  0.00    +0.221 A 
ATOM     10  N   LIG    1        3.810   1.322   0.553  0.00  0.00    -0.199 NA
ATOM     11  C   LIG    1        4.475   2.485   0.621  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        3.934   3.586   1.249  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1        2.702   3.415   1.824  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        2.026   2.257   1.790  0.00  0.00    -0.223 NA
BRANCH  11  15
ATOM     15  N   LIG    1        5.731   2.635   0.001  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        6.377   3.035   0.678  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        6.285   1.440  -0.643  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        7.762   1.676  -0.977  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        7.733   2.549  -2.223  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        6.447   2.178  -2.958  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.685   1.227  -2.033  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -3.015  -2.330   2.633  0.00  0.00    +0.130 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -4.219  -3.404   0.849  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -4.014  -2.378   1.489  0.00  0.00    +0.218 C 
ATOM     25  N   LIG    1       -4.655  -1.176   1.262  0.00  0.00    -0.312 N 
ATOM     26  H   LIG    1       -4.261  -0.358   1.711  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.594  -0.935   0.173  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -6.864  -1.796   0.284  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -7.697  -1.688  -0.986  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -6.939  -2.183  -2.216  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.419  -2.164  -2.061  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -4.928  -0.995  -1.212  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 7