REMARK  Name = BDB060513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.420   0.106  -0.654  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.558   1.501  -0.034  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1       -0.054   1.791   1.248  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.188   3.068   1.796  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.829   4.061   1.069  0.00  0.00    +0.123 A 
ATOM      6  F   LIG    1       -0.958   5.286   1.594  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -1.343   3.802  -0.196  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.210   2.525  -0.746  0.00  0.00    +0.007 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  C   LIG    1        3.713  -1.188  -0.891  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        2.922  -1.646   0.155  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.589  -1.237   0.241  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.034  -0.376  -0.722  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        1.863   0.082  -1.763  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.195  -0.327  -1.849  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        5.019  -1.562  -1.012  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1        5.243  -2.141  -0.266  0.00  0.00    +0.292 HD
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1       -1.405  -0.930  -0.089  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1       -1.652  -0.945   1.249  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1       -2.507  -1.877   1.723  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -3.125  -2.828   0.931  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.852  -2.824  -0.430  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -1.980  -1.869  -0.949  0.00  0.00    +0.024 A 
ENDBRANCH   1  17
TORSDOF 4