REMARK  Name = BDB042482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.930  -0.572   2.609  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -5.586   2.078  -0.210  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -5.231   0.802  -0.927  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -4.283  -0.114  -0.415  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.999  -1.291  -1.138  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -3.005  -2.251  -0.597  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -2.415  -1.910   0.601  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -1.753  -2.592   0.951  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.673  -0.763   1.310  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -2.703  -3.296  -1.159  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -4.645  -1.547  -2.346  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -4.396  -2.655  -3.058  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.577  -0.648  -2.851  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.576   0.119   0.855  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -5.869   0.519  -2.147  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.623   0.218   2.464  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.432  -0.504   1.617  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.727   0.182   1.659  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1        2.776  -0.596   0.984  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1        3.913   0.420   0.808  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1        3.211   1.787   0.805  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        1.729   1.472   0.963  0.00  0.00    +0.085 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.777   0.153  -0.407  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        4.262   0.244  -1.712  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.076  -0.013  -2.817  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.406  -0.362  -2.622  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        7.186  -0.608  -3.682  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.937  -0.460  -1.343  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        6.125  -0.204  -0.237  0.00  0.00    +0.007 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5