REMARK  Name = BDB054941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.299   0.477  -1.539  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.709   0.461  -1.406  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        3.396   1.624  -1.792  0.00  0.00    +0.180 A 
ATOM      4  F   LIG    1        4.736   1.681  -1.738  0.00  0.00    -0.201 F 
ATOM      5  C   LIG    1        2.718   2.734  -2.297  0.00  0.00    +0.160 A 
ATOM      6  F   LIG    1        3.404   3.825  -2.666  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        1.338   2.727  -2.439  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        0.623   1.593  -2.068  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.915  -1.834  -1.494  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.511  -0.724  -1.158  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1       -0.650  -0.527  -0.440  0.00  0.00    -0.292 N 
ATOM     12  C   LIG    1       -1.329  -1.585   0.310  0.00  0.00    +0.146 C 
ATOM     13  C   LIG    1       -2.010  -0.464   1.142  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -0.908   0.481   0.588  0.00  0.00    +0.146 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -3.470  -0.180   0.704  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1       -4.329  -1.279   1.220  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -4.362  -2.019   0.515  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.699  -0.876   1.549  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -6.221   0.240   0.653  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.367   1.498   0.783  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -3.937   1.189   1.226  0.00  0.00    +0.021 C 
ENDBRANCH  13  15
BRANCH  13  22
ATOM     22  O   LIG    1       -1.978  -0.677   2.582  0.00  0.00    -0.384 OA
ATOM     23  H   LIG    1       -2.781  -1.219   2.732  0.00  0.00    +0.210 HD
ENDBRANCH  13  22
ENDBRANCH   1  10
BRANCH   2  24
ATOM     24  N   LIG    1        3.347  -0.670  -0.850  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1        2.866  -1.552  -1.071  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.540  -0.861  -0.131  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        5.137  -2.134  -0.124  0.00  0.00    +0.145 A 
ATOM     28  F   LIG    1        4.543  -3.140  -0.786  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        6.328  -2.395   0.548  0.00  0.00    +0.054 A 
ATOM     30  C   LIG    1        6.952  -1.363   1.238  0.00  0.00    +0.016 A 
ATOM     31  I   LIG    1        8.730  -1.721   2.251  0.00  0.00    -0.044 I 
ATOM     32  C   LIG    1        6.387  -0.088   1.256  0.00  0.00    +0.016 A 
ATOM     33  C   LIG    1        5.188   0.158   0.574  0.00  0.00    +0.027 A 
ENDBRANCH  24  26
ENDBRANCH   2  24
TORSDOF 5