REMARK  Name = BDB051861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.562   0.347   0.994  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        2.398   0.432   0.238  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.371  -0.564  -0.128  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        0.425   0.079  -0.907  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        0.710   1.483  -1.094  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.357  -1.736   0.197  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.989   1.649  -0.342  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        2.724   2.813  -0.187  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.891   2.753   0.568  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.300   1.540   1.149  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.586  -2.085   1.439  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        2.709  -2.236   0.942  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.949  -2.863   1.971  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.125  -0.859   1.666  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        5.089  -0.760   2.421  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.760  -0.564  -1.447  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.876  -0.738  -0.406  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -2.494   0.606   0.026  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -3.983   0.500   0.370  0.00  0.00    +0.081 C 
ATOM     20  N   LIG    1       -4.299  -0.765   1.024  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1       -3.715  -0.858   1.857  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.046  -1.910   0.142  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -2.975  -1.669  -0.929  0.00  0.00    +0.020 C 
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 3