REMARK  Name = BDB043077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.534   1.213   1.833  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.211   0.517   1.443  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -0.386   1.163   0.779  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.932  -0.768   1.839  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.764  -1.691   2.612  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.986  -3.016   2.579  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.472  -2.575   2.465  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        1.394  -3.667   1.917  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.461  -3.070   0.998  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        1.856  -2.443  -0.179  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.597  -1.723   0.078  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -3.159  -1.877   2.026  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -4.149  -0.777   2.394  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.386  -1.340   1.560  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.550   0.570   2.770  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -3.613   1.241  -0.420  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.102   1.908   0.676  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -2.667   2.797   0.467  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -3.738   0.023  -0.477  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -4.016   2.155  -1.599  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -2.782   2.798  -2.227  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -6.274   2.674  -0.871  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.948   3.217  -1.151  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -4.585   3.645  -0.301  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.811  -1.685  -1.000  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.356  -0.382  -0.385  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.265   0.350  -1.346  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.623   0.023  -1.430  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.456   0.690  -2.332  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1        5.944   1.691  -3.171  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        4.582   2.015  -3.084  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        3.750   1.347  -2.183  0.00  0.00    +0.004 A 
BRANCH  30  33
ATOM     33  C   LIG    1        6.858   2.415  -4.128  0.00  0.00    +0.417 C 
ATOM     34  F   LIG    1        6.197   3.174  -5.047  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        7.712   3.263  -3.489  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        7.645   1.565  -4.847  0.00  0.00    -0.166 F 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7