REMARK  Name = BDB008856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.026  -0.317  -0.179  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.257  -1.669  -0.412  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.205  -2.071  -1.271  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.499  -2.635   0.244  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.512  -2.247   1.123  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.788  -0.887   1.339  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.004   0.076   0.687  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.126   1.563  -1.514  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.781   0.730  -0.889  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.166   0.763  -0.802  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.882   1.754  -1.611  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.382   1.448  -1.743  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        5.007   1.356  -0.413  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1        4.222   0.698   0.645  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        2.992  -0.055   0.095  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.391   1.200  -0.406  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1        7.034   1.021  -1.581  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        8.380   0.885  -1.572  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        9.152   0.927  -0.428  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        8.502   1.129   0.778  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        7.114   1.270   0.787  0.00  0.00    +0.043 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.899  -0.462   2.272  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.253  -1.073   1.919  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -5.023  -0.549   0.746  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.509   0.605  -0.069  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -5.569   1.216  -0.991  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.369   0.131  -1.700  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.067  -0.783  -0.692  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -6.188  -1.160   0.469  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -6.668  -2.273   1.326  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -7.734  -2.841   1.113  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.853  -2.622   2.367  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -6.164  -3.380   2.965  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.658  -2.051   2.674  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4