REMARK  Name = BDB049767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1        0.669  -2.888  -0.606  0.00  0.00    -0.204 F 
ATOM      2  C   LIG    1        0.102  -1.691  -0.379  0.00  0.00    +0.145 A 
ATOM      3  C   LIG    1        0.919  -0.610  -0.019  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.300   0.625   0.166  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.091   0.755   0.045  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.910  -0.341  -0.284  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.283  -1.574  -0.503  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -3.370  -0.132  -0.395  0.00  0.00    +0.110 A 
ATOM      9  S   LIG    1       -4.467  -1.441  -0.628  0.00  0.00    -0.067 S 
ATOM     10  C   LIG    1       -5.796  -0.352  -0.629  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -5.316   0.944  -0.448  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -6.238   2.010  -0.415  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -7.605   1.753  -0.563  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -8.061   0.451  -0.742  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.166  -0.623  -0.778  0.00  0.00    +0.017 A 
ATOM     16  N   LIG    1       -3.943   1.053  -0.316  0.00  0.00    -0.239 NA
ENDBRANCH   6   8
BRANCH   3  17
ATOM     17  N   LIG    1        2.321  -0.790   0.026  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1        2.545  -1.784   0.014  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.270  -0.098   0.822  0.00  0.00    +0.134 A 
ATOM     20  C   LIG    1        4.643  -0.270   0.549  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        5.521   0.421   1.399  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        6.889   0.297   1.200  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        7.404  -0.490   0.172  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        6.552  -1.171  -0.686  0.00  0.00    +0.021 A 
ATOM     25 CL   LIG    1        9.107  -0.615  -0.040  0.00  0.00    -0.083 Cl
ATOM     26  N   LIG    1        5.095   1.199   2.397  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1        3.771   1.305   2.554  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1        5.175  -1.062  -0.502  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        2.838   0.699   1.816  0.00  0.00    -0.220 NA
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 3