REMARK  Name = BDB005598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.238  -0.308   1.076  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -0.816   1.026   1.004  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.537   1.332   0.824  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.510   0.326   0.734  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.929   0.720   0.561  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        3.918  -0.260   0.559  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        3.680  -1.072   1.122  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        5.328   0.103   0.659  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        5.595   1.338  -0.194  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.658   2.484   0.202  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.240   2.025   0.417  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.198   3.083   0.493  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        2.472   4.274   0.379  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.080  -1.007   0.796  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        0.915   2.673   0.713  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.225   3.410   0.764  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.274  -1.319   0.971  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -2.702  -0.648   1.262  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.605   0.433  -0.732  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -3.518  -0.817   0.035  0.00  0.00    -0.301 NA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.040  -1.943  -0.800  0.00  0.00    +0.095 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.104  -2.443  -1.779  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.299  -3.060  -1.091  0.00  0.00    +0.306 C 
ATOM     24  O   LIG    1       -5.858  -4.070  -1.494  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.748  -2.364  -0.024  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -5.160  -1.594   0.175  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6