REMARK  Name = BDB013745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.704  -2.788  -0.783  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -0.622  -1.265  -0.659  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1        0.138  -0.910   0.548  0.00  0.00    -0.323 N 
ATOM      4  H   LIG    1       -0.428  -0.336   1.168  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1        1.509  -0.761   0.570  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1        2.155  -0.152   1.765  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        3.533   0.026   1.739  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        4.195   0.603   2.833  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.474   0.992   3.961  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.095   0.802   3.999  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.301  -0.412   0.562  0.00  0.00    +0.275 A 
ATOM     12  O   LIG    1        5.521  -0.260   0.552  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        3.572  -0.989  -0.468  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1        4.244  -1.472  -1.659  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1        1.434   0.229   2.908  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        2.214  -1.156  -0.453  0.00  0.00    -0.153 NA
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  17
ATOM     17  C   LIG    1       -2.057  -0.585  -0.611  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.985   0.700  -1.455  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -1.197   1.795  -1.059  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -1.137   2.948  -1.843  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -1.864   3.016  -3.025  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1       -2.653   1.948  -3.438  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -2.712   0.793  -2.655  0.00  0.00    +0.009 A 
BRANCH  21  24
ATOM     24  O   LIG    1       -1.776   4.161  -3.760  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -2.317   4.059  -4.560  0.00  0.00    +0.292 HD
ENDBRANCH  21  24
ENDBRANCH  17  18
BRANCH  17  26
ATOM     26  N   LIG    1       -2.591  -0.318   0.775  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -2.824  -1.567   1.516  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -3.873   0.409   0.720  0.00  0.00    +0.105 C 
ENDBRANCH  17  26
ENDBRANCH   2  17
TORSDOF 6