REMARK  Name = BDB029718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.147  -0.432   0.246  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.957   0.159  -0.832  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -3.401   0.117  -0.310  0.00  0.00    +0.129 C 
ATOM      4  C   LIG    1       -3.918   1.526   0.009  0.00  0.00    +0.246 C 
ATOM      5  O   LIG    1       -3.490   2.285   0.865  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -4.954   1.806  -0.829  0.00  0.00    -0.238 N 
ATOM      7  H   LIG    1       -5.481   2.662  -0.823  0.00  0.00    +0.159 HD
ATOM      8  C   LIG    1       -5.256   0.737  -1.600  0.00  0.00    +0.307 C 
ATOM      9  O   LIG    1       -6.151   0.669  -2.421  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1       -4.383  -0.278  -1.298  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.412  -1.162  -1.791  0.00  0.00    +0.151 HD
ATOM     12  C   LIG    1       -3.371  -0.786   0.911  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.958  -0.595   1.452  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.067   0.064   0.340  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        2.360   0.191  -0.849  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        0.965   0.027  -0.870  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        0.224  -0.257   0.287  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        0.962  -0.399   1.470  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.356  -0.236   1.502  0.00  0.00    +0.025 A 
BRANCH  14  22
ATOM     20  C   LIG    1        6.783   0.583  -0.048  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.365   0.501  -0.556  0.00  0.00    +0.214 C 
ATOM     22  N   LIG    1        4.464   0.215   0.453  0.00  0.00    -0.286 N 
ATOM     23  H   LIG    1        4.846   0.094   1.383  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        5.117   0.657  -1.747  0.00  0.00    -0.276 OA
ENDBRANCH  14  22
ENDBRANCH   1  17
TORSDOF 2