REMARK  Name = BDB057899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.241  -0.469  -0.483  0.00  0.00    -0.247 N 
ATOM      2  N   LIG    1        0.893  -1.087   0.518  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        2.137  -0.626   0.526  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        2.260   0.291  -0.487  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        1.052   0.406  -1.139  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.489  -0.365   0.978  0.00  0.00    +0.215 C 
ATOM      7  N   LIG    1       -3.445  -0.882   0.217  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1       -2.019  -0.675   0.510  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -1.155  -0.761  -0.755  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.329  -2.107  -1.477  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -2.690  -2.755  -1.214  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.779  -1.725  -0.933  0.00  0.00    +0.108 C 
ATOM     13  O   LIG    1       -5.667  -0.523   0.656  0.00  0.00    -0.276 OA
BRANCH   6  15
ATOM     14  C   LIG    1       -5.310   0.782   3.075  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -4.104   0.417   2.224  0.00  0.00    +0.092 C 
ENDBRANCH   6  15
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  C   LIG    1        3.478   1.016  -0.794  0.00  0.00    +0.093 A 
ATOM     17  N   LIG    1        3.402   1.958  -1.769  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        4.530   2.635  -2.079  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        5.739   2.431  -1.446  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.790   1.478  -0.432  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        4.652   0.741  -0.105  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        7.085   1.245   0.243  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        8.150   1.313  -0.343  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.972   1.002   1.564  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        6.085   1.133   1.948  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   4  16
TORSDOF 5