REMARK  Name = BDB017984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.587  -2.467   2.234  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -1.464  -1.967   2.236  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1       -0.739  -1.584   0.957  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1       -1.331  -0.328   0.308  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -0.201   0.062  -0.676  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.248   1.517  -1.096  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.492   1.601  -2.469  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.604   2.805  -3.131  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.458   3.964  -2.368  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -0.201   3.902  -0.986  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1       -0.588   5.502  -3.132  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1       -0.574   0.334  -3.023  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -0.700   0.121  -4.002  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.091   2.667  -0.339  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1        1.084  -0.264   0.032  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1       -0.365  -0.659  -2.068  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1       -0.292  -1.853  -2.313  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        0.748  -1.217   1.116  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1        1.018  -0.520   2.458  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.524  -1.403   3.582  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1       -0.881  -1.666   3.431  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1       -1.405  -2.014   4.227  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  23
ATOM     23  C   LIG    1       -2.739  -0.382  -0.268  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1       -3.315  -1.530  -0.829  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1       -2.613  -2.670  -0.890  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.611  -1.510  -1.352  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1       -5.299  -2.927  -2.051  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -5.361  -0.337  -1.324  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.811   0.817  -0.772  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.515   0.795  -0.251  0.00  0.00    +0.007 A 
ENDBRANCH   4  23
BRANCH  15  31
ATOM     31  C   LIG    1        2.170  -0.704  -0.862  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  C   LIG    1        3.590  -0.472  -0.340  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        3.938   0.806   0.468  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        5.013  -0.030   1.194  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        4.207  -1.293   0.821  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 3