REMARK  Name = BDB017585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609   0.793  -1.285  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.013   1.685  -0.295  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.341   1.691   0.143  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -3.301   0.787  -0.359  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -4.645   0.806   0.293  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.507  -0.279   0.120  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.985  -1.153   0.106  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.723  -0.407   0.922  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.354   0.964   1.119  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.345   1.928   1.745  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.986   1.828   1.105  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.997   2.866   1.490  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.296   3.817   2.205  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.923  -0.036  -1.449  0.00  0.00    -0.011 A 
ATOM     15  N   LIG    1       -2.716   2.676   1.064  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.052   3.376   1.363  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.571  -0.047  -1.860  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        0.826   0.756  -1.766  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.071  -1.287  -0.119  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        2.745  -1.765   0.338  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        1.611  -0.784  -0.037  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.496  -0.524  -1.493  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.819  -0.597  -2.155  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.024  -0.312  -1.231  0.00  0.00    +0.120 C 
BRANCH  19  27
ATOM     25  C   LIG    1        6.751  -2.347  -0.279  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1        6.316  -1.408   0.814  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        4.992  -0.918   0.874  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        4.644  -0.045   1.921  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        5.580   0.339   2.882  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        6.876  -0.144   2.801  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        7.778   0.228   3.719  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        7.253  -1.006   1.780  0.00  0.00    +0.043 A 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH  14  33
ATOM     33  C   LIG    1       -3.916  -0.885  -2.213  0.00  0.00    +0.191 C 
BRANCH  33  34
ATOM     34  O   LIG    1       -3.442  -1.222  -3.517  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1       -4.182  -1.658  -3.973  0.00  0.00    +0.210 HD
ENDBRANCH  33  34
ENDBRANCH  14  33
TORSDOF 5