REMARK  Name = BDB014275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.958  -0.359  -0.244  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.883   0.345   0.305  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.939   1.722   0.470  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.713   2.135   1.041  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.075   1.011   1.214  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -3.015   2.466   0.119  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.042   1.769  -0.411  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.653  -0.068   0.764  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.337  -1.032   0.744  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.072   0.398  -0.611  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -1.935  -2.518  -0.077  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -2.879  -1.822  -0.405  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -3.983  -2.342  -0.968  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.799  -3.304  -1.019  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.453   0.863   1.774  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.402   0.153   0.833  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.839  -1.152   1.111  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.705  -1.806   0.233  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.131  -1.159  -0.921  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        4.961  -1.790  -1.762  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.709   0.131  -1.216  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        2.844   0.788  -0.340  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4