REMARK  Name = BDB057856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.213   0.135   0.601  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -3.803  -0.960   1.101  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -3.014  -1.977   1.451  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.622  -1.942   1.307  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.851  -3.058   1.723  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.461  -4.192   2.254  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.842  -4.224   2.381  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.101  -0.759   0.754  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.600  -3.120   1.982  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.889   0.278   0.425  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.279   1.188  -0.480  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -4.062   1.288   0.244  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -3.635   2.578   0.636  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -4.375   3.724   0.344  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.566   3.613  -0.357  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.012   2.358  -0.768  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.057  -0.627  -2.225  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -5.825  -0.122  -1.012  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   8  19
ATOM     19  N   LIG    1        0.292  -0.637   0.566  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        0.625  -1.435   0.032  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.719   0.613  -0.051  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.218   0.573  -0.244  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        3.075   0.612   0.864  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.462   0.566   0.693  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.033   0.474  -0.586  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.165   0.431  -1.690  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        2.777   0.477  -1.523  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.491   0.425  -0.764  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.109  -0.566  -1.529  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        8.445  -0.668  -1.737  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.219   0.267  -1.149  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.720   1.294  -0.367  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.341   1.369  -0.175  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 6