REMARK  Name = BDB053977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.488  -0.151  -0.244  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        1.197   0.404   0.003  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        0.240  -0.598  -0.092  0.00  0.00    +0.066 A 
ATOM      4  N   LIG    1        0.928  -1.749  -0.408  0.00  0.00    -0.359 N 
ATOM      5  H   LIG    1        0.513  -2.656  -0.569  0.00  0.00    +0.165 HD
ATOM      6  C   LIG    1        2.269  -1.492  -0.497  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.213  -0.518   0.077  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1       -1.687   0.744   0.130  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -3.002   0.888   0.294  0.00  0.00    +0.213 A 
ATOM     10  N   LIG    1       -3.876  -0.116   0.380  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1       -3.366  -1.358   0.330  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -2.027  -1.624   0.178  0.00  0.00    +0.049 A 
BRANCH   9  13
ATOM     13  N   LIG    1       -3.504   2.172   0.329  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -2.877   2.795  -0.160  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.472   2.165   0.038  0.00  0.00    +0.145 HD
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     16  N   LIG    1        3.826   1.808   0.062  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        4.731   2.254   0.111  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        3.010   2.315   0.365  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        3.801   0.481  -0.255  0.00  0.00    +0.243 C 
ATOM     20  O   LIG    1        4.840  -0.116  -0.521  0.00  0.00    -0.270 OA
ENDBRANCH   1  19
TORSDOF 3