REMARK  Name = BDB052683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.282   0.425  -0.540  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        1.724  -0.201  -1.651  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        0.371  -0.521  -1.632  0.00  0.00    +0.148 A 
ATOM      4  F   LIG    1       -0.165  -1.137  -2.699  0.00  0.00    -0.203 F 
ATOM      5  C   LIG    1       -0.449  -0.208  -0.538  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        0.121   0.435   0.561  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.484   0.760   0.555  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -1.807  -0.587  -0.627  0.00  0.00    -0.267 N 
ATOM      9  H   LIG    1       -2.063  -1.029  -1.500  0.00  0.00    +0.156 HD
ATOM     10  C   LIG    1       -2.835  -0.262   0.242  0.00  0.00    +0.308 C 
ATOM     11  N   LIG    1       -4.003  -0.910  -0.134  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -3.894  -1.657  -0.802  0.00  0.00    +0.156 HD
ATOM     13  O   LIG    1       -2.725   0.487   1.204  0.00  0.00    -0.252 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -5.286  -0.771   0.435  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.617   0.196   1.388  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -6.923   0.284   1.905  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -7.897  -0.619   1.458  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -7.577  -1.580   0.502  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -6.280  -1.652  -0.008  0.00  0.00    +0.023 A 
BRANCH  16  20
ATOM     20  C   LIG    1       -7.250   1.324   2.949  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1       -6.795   0.981   4.186  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.713   2.544   2.673  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -8.589   1.536   3.093  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH  11  14
ENDBRANCH   5   8
BRANCH   1  24
ATOM     24  O   LIG    1        3.597   0.816  -0.515  0.00  0.00    -0.436 OA
BRANCH  24  33
ATOM     25  C   LIG    1        5.963   2.634  -1.085  0.00  0.00    +0.149 C 
ATOM     26  N   LIG    1        6.558   1.315  -1.073  0.00  0.00    -0.344 N 
ATOM     27  C   LIG    1        5.884   0.135  -0.860  0.00  0.00    +0.130 A 
ATOM     28  C   LIG    1        6.822  -0.887  -0.926  0.00  0.00    +0.096 A 
ATOM     29  N   LIG    1        6.509  -2.188  -0.757  0.00  0.00    -0.234 NA
ATOM     30  C   LIG    1        5.209  -2.394  -0.510  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1        4.227  -1.480  -0.428  0.00  0.00    -0.199 NA
ATOM     32  C   LIG    1        8.082  -0.302  -1.191  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1        4.557  -0.183  -0.613  0.00  0.00    +0.248 A 
ATOM     34  C   LIG    1        7.893   1.061  -1.278  0.00  0.00    +0.088 A 
ENDBRANCH  24  33
ENDBRANCH   1  24
TORSDOF 5