REMARK  Name = BDB007857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.806   1.225  -0.234  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        0.221   0.566  -0.827  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        1.278   1.330  -1.127  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1        1.371   2.695  -0.884  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        2.605   3.151  -1.328  0.00  0.00    -0.305 N 
ATOM      6  H   LIG    1        2.973   4.086  -1.278  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        3.313   2.057  -1.853  0.00  0.00    +0.329 A 
ATOM      8  O   LIG    1        4.440   2.103  -2.317  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1        0.338   3.369  -0.291  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.473   0.942  -1.735  0.00  0.00    -0.272 N 
ATOM     11  C   LIG    1       -0.784   2.603   0.043  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.066   0.698   0.691  0.00  0.00    +0.235 C 
ATOM     13  N   LIG    1       -1.883   0.387   0.060  0.00  0.00    -0.269 N 
ATOM     14  H   LIG    1       -1.705  -0.566  -0.225  0.00  0.00    +0.156 HD
ATOM     15  O   LIG    1       -3.347   1.797   1.168  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.029  -0.515   0.841  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -4.342  -1.163  -0.505  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.835  -1.003   2.399  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.298  -0.048   1.441  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -5.112   0.842   1.918  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        2.811  -0.410  -2.079  0.00  0.00    +0.163 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.424  -1.159  -0.920  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1        4.793  -1.038  -0.640  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.358  -1.716   0.441  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.560  -2.516   1.257  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.196  -2.634   0.996  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.629  -1.957  -0.084  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 5