REMARK  Name = BDB048760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.368   1.425  -2.086  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.861   1.581  -2.377  0.00  0.00    +0.097 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -2.159   4.028  -0.241  0.00  0.00    +0.053 C 
ATOM      4  C   LIG    1       -2.818   2.694  -0.245  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.703   1.642  -1.138  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1       -3.489   0.542  -0.833  0.00  0.00    -0.244 NA
ATOM      7  C   LIG    1       -4.163   0.729   0.286  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1       -3.894   2.264   1.016  0.00  0.00    -0.072 S 
BRANCH   7   9
ATOM      9  C   LIG    1       -5.062  -0.283   0.878  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -5.894  -0.032   1.979  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -6.718  -1.037   2.482  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -7.505  -0.773   3.534  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.742  -2.304   1.915  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -5.928  -2.575   0.822  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -5.098  -1.572   0.310  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.111   0.099  -1.621  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.176  -0.202  -1.267  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.280   0.643  -1.397  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.524   0.177  -0.992  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.819   0.927  -1.003  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.839  -0.197  -0.767  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.108  -1.364  -0.066  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        3.680  -1.102  -0.452  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        2.594  -1.949  -0.317  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.341  -1.491  -0.731  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.346  -1.467   1.439  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.905  -0.262   2.223  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        5.452   0.829   2.239  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.801  -0.490   2.957  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        3.602   0.374   3.373  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8