REMARK  Name = BDB027616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.246  -1.021   0.438  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.217  -2.324   0.698  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.598  -2.502   0.612  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.069  -3.780   0.877  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.311  -4.860   1.202  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.016  -4.661   1.259  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.442  -1.512   0.295  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.910  -0.310   0.032  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.604  -3.432   1.020  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.590  -0.037   0.072  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.838   0.783  -0.318  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.399   2.102  -0.502  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.314   3.090  -0.831  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.635   2.868  -0.986  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.055   1.601  -0.807  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.214   0.549  -0.480  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.619  -0.761   0.546  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -1.916  -1.094   1.461  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.280   0.539   0.237  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -1.763   1.651   1.166  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -3.772   0.299   0.590  0.00  0.00    +0.034 C 
BRANCH  19  23
ATOM     22  C   LIG    1       -3.169   1.919  -1.802  0.00  0.00    +0.040 C 
ATOM     23  C   LIG    1       -2.156   0.897  -1.291  0.00  0.00    +0.134 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -0.873   1.441  -1.614  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -0.226   0.844  -1.185  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5