REMARK  Name = BDB005597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.176  -1.043  -1.873  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.795  -1.830  -0.894  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.882  -1.326  -0.171  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.373  -0.030  -0.390  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.516   0.446   0.426  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -3.957   1.761   0.288  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.218   2.403   0.015  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -4.886   2.340   1.252  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.943   1.306   1.620  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.289   0.017   2.129  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.103  -0.398   1.298  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.591  -1.778   1.506  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.110  -2.549   2.308  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.763   0.740  -1.390  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -2.499  -2.150   0.776  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.164  -3.089   0.936  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.678   0.242  -2.119  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.992  -1.580  -2.674  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.195  -0.727  -2.588  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1        3.133  -1.108  -3.650  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     21  C   LIG    1        2.825  -0.839  -1.253  0.00  0.00    +0.095 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.865   0.254  -0.998  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.381   0.171   0.416  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        4.259  -0.794   1.157  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        5.034   1.326   0.731  0.00  0.00    -0.465 OA
BRANCH  25  27
ATOM     26  C   LIG    1        4.553   1.874   3.041  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        5.595   1.388   2.051  0.00  0.00    +0.229 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7