REMARK  Name = BDB052397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.246   0.878   2.036  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        3.348   0.170   1.430  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        3.329  -0.616   0.316  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.241  -0.961  -0.579  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        2.465  -1.999  -1.472  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        3.748  -2.794  -1.468  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        4.983  -2.015  -0.947  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.393  -2.293  -2.272  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.230  -1.616  -2.224  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        0.126  -0.599  -1.349  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        1.108  -0.247  -0.503  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        4.611  -1.108   0.176  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        5.359  -0.543   1.236  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        4.572   0.243   2.006  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        6.788  -0.724   1.528  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.550  -1.409   0.854  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        7.221  -0.049   2.636  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        6.554   0.529   3.135  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.192  -0.081   2.898  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -1.104   0.048  -1.335  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1       -1.738  -0.395  -2.001  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.550   1.283  -0.837  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.934   1.559  -0.758  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1       -3.403   2.782  -0.247  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -2.501   3.728   0.234  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -1.137   3.459   0.196  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -0.671   2.250  -0.331  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.916   0.561  -1.260  0.00  0.00    +0.195 C 
ATOM     29  O   LIG    1       -3.676  -0.041  -2.305  0.00  0.00    -0.287 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -5.171   0.270  -0.521  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.233   0.330   0.877  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -6.431   0.039   1.534  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.561  -0.322   0.800  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.497  -0.402  -0.591  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -6.302  -0.113  -1.252  0.00  0.00    +0.012 A 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 5