REMARK  Name = BDB005559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.820   0.363  -3.123  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.889   0.252  -2.330  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.115   0.038  -0.876  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.547  -0.044  -0.417  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.686   0.073   1.105  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.624  -0.760   1.811  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.303  -0.366   1.332  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -3.550  -0.891   1.768  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.084  -0.100  -0.017  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.695   0.024  -0.521  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.493   0.206  -1.897  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.208   0.312  -2.432  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -0.095   0.252  -1.591  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -0.269   0.097  -0.217  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.563  -0.011   0.308  0.00  0.00    +0.057 A 
ATOM     16  N   LIG    1       -3.592   0.303  -2.754  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.461   0.449  -3.745  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1        0.729   0.037   0.717  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.075   0.174   0.247  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.013   0.096   1.465  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.460   0.211   1.235  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        4.857   1.516   0.678  0.00  0.00    +0.099 C 
ATOM     23  C   LIG    1        6.390   1.624   0.513  0.00  0.00    +0.096 C 
ATOM     24  N   LIG    1        6.952   0.540  -0.310  0.00  0.00    -0.314 NA
ATOM     25  H   LIG    1        7.970   0.602  -0.289  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        6.538  -0.759   0.245  0.00  0.00    +0.096 C 
ATOM     27  C   LIG    1        5.006  -0.878   0.408  0.00  0.00    +0.099 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 4