REMARK  Name = BDB056175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.063   1.380   2.371  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -5.262   0.557   1.933  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -3.915   0.766   2.017  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1       -3.611   1.620   2.463  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -2.998  -0.147   1.498  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -3.445  -1.277   0.811  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -2.518  -2.167   0.271  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.151  -1.935   0.429  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -0.693  -0.807   1.128  0.00  0.00    -0.032 A 
ATOM     10  O   LIG    1       -4.761  -1.566   0.587  0.00  0.00    -0.481 OA
ATOM     11  C   LIG    1       -1.631   0.093   1.655  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -5.684  -0.777   1.319  0.00  0.00    +0.325 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.790  -0.560   1.284  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        1.384  -0.167   0.012  0.00  0.00    -0.308 NA
ATOM     15  H   LIG    1        0.920   0.671  -0.337  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.812   0.103   0.156  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.404   0.583  -1.148  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        3.886   1.893  -1.279  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.434   2.329  -2.487  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.504   1.462  -3.576  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.024   0.159  -3.460  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.477  -0.278  -2.253  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 4