REMARK  Name = BDB017694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.214  -1.243   2.572  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        5.519  -0.983   1.595  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        6.049  -0.215   0.436  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        7.450   0.322   0.550  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        7.684   1.513  -0.386  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        7.162   1.212  -1.786  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        5.774   0.773  -1.723  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        5.102   1.441  -2.092  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        5.284   0.043  -0.644  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        3.888  -0.450  -0.683  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        3.385  -1.140   0.429  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        2.072  -1.618   0.455  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.227  -1.422  -0.646  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1        1.727  -0.754  -1.770  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.043  -0.277  -1.789  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        4.213  -1.375   1.530  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.867  -1.889   2.329  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -0.194  -1.948  -0.625  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.994  -1.411   0.486  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.295  -2.103   0.601  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -3.494  -1.407  -0.086  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1       -3.658  -0.025   0.396  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -2.474   0.594   1.014  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -1.182   0.054   0.358  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.912   0.568   0.454  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -5.947   0.159  -0.409  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -7.198   0.788  -0.327  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -7.471   1.807   0.572  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -8.818   2.148   0.325  0.00  0.00    +0.142 A 
ATOM     30  N   LIG    1       -9.365   1.417  -0.650  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1       -6.456   2.232   1.438  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -8.360   0.605  -1.028  0.00  0.00    -0.277 N 
ATOM     33  H   LIG    1       -8.534  -0.058  -1.775  0.00  0.00    +0.189 HD
ATOM     34  C   LIG    1       -5.198   1.607   1.360  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3