REMARK  Name = BDB029485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.201  -0.441  -0.377  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        1.230  -1.345  -0.771  0.00  0.00    +0.127 A 
ATOM      3  N   LIG    1       -0.101  -1.168  -0.566  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -0.523  -0.053   0.069  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.401   0.909   0.481  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        1.769   0.717   0.263  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.876   0.120   0.252  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -2.780  -0.972  -0.113  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -4.160  -0.423   0.285  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -5.152  -1.539   0.558  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -4.848  -2.722   0.670  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -6.461  -1.145   0.696  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.101  -1.908   0.875  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.038  -0.109   0.008  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.247  -0.089  -0.204  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.122   1.004  -0.440  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -4.742   0.481  -0.814  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -3.817   0.329   1.582  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.431   0.929   1.328  0.00  0.00    +0.107 C 
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        3.618  -0.751  -0.662  0.00  0.00    +0.341 C 
ATOM     21  O   LIG    1        3.975  -1.767  -1.232  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.411   0.244  -0.201  0.00  0.00    -0.455 OA
BRANCH  22  24
ATOM     23  C   LIG    1        6.250   0.169  -1.839  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        5.853   0.177  -0.358  0.00  0.00    +0.106 C 
ATOM     25  C   LIG    1        6.439  -1.019   0.399  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        6.375   1.471   0.284  0.00  0.00    +0.055 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4