REMARK  Name = BDB001117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.740   4.370   0.574  0.00  0.00    +0.174 C 
ATOM      2  N   LIG    1        0.620   2.938   0.460  0.00  0.00    -0.250 N 
ATOM      3  C   LIG    1       -0.499   2.208   0.200  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.119   0.888   0.206  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.132  -0.095  -0.018  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.736  -1.545   0.073  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -1.935  -2.495   0.177  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -3.034  -2.104  -0.802  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -3.526  -0.680  -0.533  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -2.407   0.286  -0.266  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -2.775   1.751  -0.279  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.925   2.121  -0.498  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.281   0.908   0.454  0.00  0.00    +0.102 A 
ATOM     14  N   LIG    1       -1.774   2.662  -0.026  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.023   3.641  -0.028  0.00  0.00    +0.170 HD
ATOM     16  N   LIG    1        1.713   2.170   0.640  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  13  17
ATOM     17  C   LIG    1        2.228  -0.195   0.526  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.811  -0.539   1.751  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.716  -1.599   1.824  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.048  -2.313   0.673  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.483  -1.965  -0.554  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.577  -0.905  -0.629  0.00  0.00    +0.010 A 
ENDBRANCH  13  17
TORSDOF 1