REMARK  Name = BDB048175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299   3.831   0.312  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.655   2.805   0.359  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.246   1.474   0.277  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.127   1.146   0.149  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.069   2.178   0.099  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -1.659   3.511   0.181  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.480  -0.219   0.101  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.906  -0.745   1.425  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.730  -2.054   1.298  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.277  -2.895   0.181  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.961  -4.181   0.141  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.395  -2.174  -1.108  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.365  -0.623  -1.003  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.121   0.367   0.272  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.604  -0.505   0.174  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.484   0.347   0.433  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        3.205   1.297   0.709  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.112  -0.997   0.279  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        2.611  -1.946  -0.622  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        3.260  -3.184  -0.734  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        4.378  -3.485   0.038  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        4.981  -4.679  -0.027  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.882  -2.536   0.923  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        4.256  -1.290   1.037  0.00  0.00    +0.016 A 
BRANCH  20  25
ATOM     25  N   LIG    1        2.756  -4.163  -1.678  0.00  0.00    +0.059 N 
ATOM     26  O   LIG    1        3.578  -4.837  -2.312  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        1.526  -4.231  -1.815  0.00  0.00    -0.126 OA
ENDBRANCH  20  25
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  28
ATOM     28  C   LIG    1        0.177   5.241   0.399  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        1.351   5.560   0.482  0.00  0.00    -0.245 OA
BRANCH  28  31
ATOM     30  C   LIG    1       -0.496   7.476   0.455  0.00  0.00    +0.280 C 
ATOM     31  O   LIG    1       -0.874   6.101   0.374  0.00  0.00    -0.464 OA
ENDBRANCH  28  31
ENDBRANCH   1  28
TORSDOF 6