REMARK  Name = BDB058987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.494   0.743   0.105  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.215  -0.590   0.437  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.058  -1.132   0.207  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -2.049  -0.315  -0.358  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.801   1.033  -0.666  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.517   1.548  -0.439  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.352  -2.527   0.563  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -2.116  -2.869   1.706  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.684  -1.817   2.627  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -2.374  -4.222   1.982  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -1.871  -5.215   1.150  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -2.121  -6.500   1.433  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.116  -4.896   0.031  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -0.859  -3.558  -0.262  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        2.905   0.502   0.437  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.804  -0.453   0.122  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        1.831   1.362   0.348  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        1.931   2.583   0.433  0.00  0.00    -0.270 OA
BRANCH  15  19
ATOM     19  C   LIG    1        4.258   0.996   0.577  0.00  0.00    +0.139 C 
BRANCH  19  23
ATOM     20  C   LIG    1        7.510  -1.296  -2.533  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.541  -0.185  -2.254  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        5.872  -0.119  -1.024  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.992   0.935  -0.738  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.782   1.926  -1.706  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.456   1.876  -2.926  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.337   0.830  -3.196  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -2.896   1.912  -1.234  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.060   1.946  -0.371  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -4.134   2.605   0.865  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -3.251   3.311   1.479  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -2.391   3.337   0.930  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -5.427   2.326   1.321  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -5.912   2.749   2.610  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -6.092   1.516   0.411  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -5.267   1.292  -0.622  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6