REMARK  Name = BDB041259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.114  -0.275  -0.223  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.308  -0.589  -0.021  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        2.045   0.069  -1.201  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        0.975   0.934  -1.875  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -0.117   1.060  -0.827  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.874  -0.347   1.028  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -7.223  -0.521  -0.457  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -6.513  -1.576  -1.264  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -7.115  -2.303  -2.048  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -5.159  -1.697  -1.090  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -4.701  -2.409  -1.642  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.425  -0.894  -0.212  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -5.071   0.085   0.538  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -4.441   0.903   1.408  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -3.103   0.732   1.527  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -2.361  -0.214   0.819  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.053  -1.050  -0.068  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -6.513   0.250   0.388  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -9.472   0.614   0.104  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -8.712  -0.441  -0.692  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1        3.082   0.944  -0.744  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.289   0.402  -0.416  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        5.270   1.308  -0.017  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.528   0.972   0.356  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.824  -0.356   0.324  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.918  -1.337  -0.057  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.630  -0.948  -0.432  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.213  -0.741   0.737  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        9.027   0.327   1.051  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        8.579   1.240   1.058  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       10.349   0.159   1.587  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        8.562  -1.915   0.792  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6