REMARK  Name = BDB018916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.819   0.428  -0.382  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1       -1.911   0.186   0.660  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.531   0.336   0.407  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.025   0.731  -0.845  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1        1.366   0.879  -1.062  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1        1.765   1.648  -2.251  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1        0.962   1.197  -3.463  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1       -0.513   1.470  -3.225  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.957   0.992  -1.867  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.335   0.846  -1.628  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.424   0.395  -0.261  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.434  -0.941   0.173  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.485  -1.397   0.955  0.00  0.00    +0.042 A 
ATOM     14  S   LIG    1        3.719  -3.024   1.610  0.00  0.00    -0.027 S 
ATOM     15  C   LIG    1        5.242  -2.545   2.383  0.00  0.00    +0.291 A 
ATOM     16  N   LIG    1        5.501  -1.208   2.116  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1        6.675  -0.538   2.618  0.00  0.00    +0.153 C 
ATOM     18  O   LIG    1        5.923  -3.316   3.039  0.00  0.00    -0.259 OA
ATOM     19  C   LIG    1        4.535  -0.559   1.323  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        4.553   0.764   0.910  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.496   1.232   0.118  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   1  26
ATOM     22  C   LIG    1       -7.308  -1.500   0.441  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.226  -0.594   0.139  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1       -6.499   0.688  -0.168  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1       -5.295   1.219  -0.400  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.251   0.288  -0.216  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -4.893  -0.885   0.117  0.00  0.00    +0.116 A 
ENDBRANCH   1  26
BRANCH   2  28
ATOM     28  C   LIG    1       -2.358  -0.232   2.038  0.00  0.00    +0.372 C 
ATOM     29  F   LIG    1       -2.663  -1.558   2.110  0.00  0.00    -0.204 F 
ATOM     30  F   LIG    1       -1.404  -0.030   2.995  0.00  0.00    -0.204 F 
ENDBRANCH   2  28
TORSDOF 3