REMARK  Name = BDB058150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.094   0.657   0.063  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        3.127  -0.346  -0.153  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1        3.565  -1.658  -0.369  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        2.543  -2.691  -0.600  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1        1.241  -2.266  -0.548  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        0.557  -2.976  -0.758  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.880  -0.957  -0.331  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1        2.833  -3.858  -0.833  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        4.922  -1.990  -0.375  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.868  -0.993  -0.160  0.00  0.00    +0.004 A 
ATOM     11  N   LIG    1        1.753  -0.020  -0.150  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1        5.457   0.325   0.057  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -0.576  -0.644  -0.333  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.543  -1.596   0.001  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.899  -1.251  -0.017  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -3.325   0.047  -0.363  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -2.340   0.996  -0.672  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.982   0.655  -0.656  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.817   0.376  -0.354  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -5.332   0.481   1.086  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -5.204   1.643  -1.128  0.00  0.00    +0.046 C 
BRANCH  19  22
ATOM     22  O   LIG    1       -5.524  -0.702  -0.986  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -5.043  -0.911  -1.806  0.00  0.00    +0.211 HD
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   7  13
BRANCH   1  25
ATOM     24  C   LIG    1        4.547   2.959   0.530  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.609   1.927   0.264  0.00  0.00    -0.493 OA
ENDBRANCH   1  25
TORSDOF 4