REMARK  Name = BDB052102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.010  -0.754   1.441  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -2.304  -0.782   0.846  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.349   0.294  -0.044  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.477   0.594  -0.817  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -4.596  -0.232  -0.680  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.587  -1.312   0.197  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.132   0.936   0.023  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.910   1.773  -0.501  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -3.452  -1.596   0.965  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.295   0.306   0.919  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.102   0.764   1.203  0.00  0.00    +0.156 C 
ATOM     12  C   LIG    1        2.138   0.156   0.288  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1        2.833   1.173  -0.370  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.856   0.924  -1.263  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.189  -0.413  -1.493  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        3.500  -1.439  -0.830  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        3.845  -2.712  -1.068  0.00  0.00    -0.205 F 
ATOM     18  N   LIG    1        2.334   2.409   0.007  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        2.651   3.304  -0.336  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.470  -1.170   0.069  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        1.290   2.278   0.917  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1        0.630   3.206   1.357  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  O   LIG    1       -1.067  -2.733   2.592  0.00  0.00    -0.143 OA
ATOM     24  N   LIG    1       -0.462  -1.666   2.454  0.00  0.00    -0.028 NA
ENDBRANCH   1  24
TORSDOF 2