REMARK  Name = BDB042485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.898  -0.947   0.544  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.693  -0.490  -0.685  0.00  0.00    +0.054 C 
BRANCH   2  10
ATOM      3  C   LIG    1       -6.922  -1.584  -0.777  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -6.699  -0.206  -0.214  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -5.411   0.353  -0.070  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -5.284   1.652   0.465  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.933   2.247   0.618  0.00  0.00    +0.257 A 
ATOM      8  N   LIG    1       -2.873   1.467   0.220  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -1.962   1.897   0.325  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.979   0.198  -0.296  0.00  0.00    +0.020 A 
ATOM     11  O   LIG    1       -3.768   3.373   1.074  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -6.403   2.392   0.853  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -7.659   1.829   0.706  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -8.742   2.526   1.073  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -4.186  -0.366  -0.457  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -7.817   0.550   0.181  0.00  0.00    +0.042 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.386  -1.702   0.170  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.330  -0.913  -0.634  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        2.448  -1.744  -1.133  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        3.763  -1.665  -0.323  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        4.240  -0.274  -0.216  0.00  0.00    -0.326 N 
ATOM     22  C   LIG    1        3.220   0.777  -0.367  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.838   0.267   0.106  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.583   0.018  -0.067  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        6.524  -0.914   0.395  0.00  0.00    +0.135 A 
ATOM     26  N   LIG    1        7.855  -0.695   0.563  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        8.306   0.540   0.258  0.00  0.00    +0.140 A 
ATOM     28  C   LIG    1        7.479   1.551  -0.204  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        6.116   1.278  -0.363  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.713   0.765   0.436  0.00  0.00    +0.119 C 
ATOM     31  N   LIG    1       10.847   0.990   0.565  0.00  0.00    -0.189 NA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6