REMARK  Name = BDB059402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.406   0.232  -0.533  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.408  -0.606  -0.006  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.061  -0.446  -0.365  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.280   0.595  -1.242  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.705   1.421  -1.790  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.041   1.244  -1.431  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.945  -1.329   0.233  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1       -1.770  -2.187  -0.477  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.600  -2.849   0.413  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.574  -3.805  -0.076  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1       -3.571  -3.982  -1.452  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.250  -4.647  -1.801  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -2.728  -3.327  -2.318  0.00  0.00    +0.104 A 
ATOM     14  O   LIG    1       -4.357  -4.436   0.630  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1       -2.299  -2.434   1.699  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -2.944  -2.888   2.959  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -1.837  -2.445  -1.846  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -1.250  -1.486   1.577  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        3.845   0.055  -0.121  0.00  0.00    +0.201 C 
BRANCH  19  20
ATOM     20  S   LIG    1        4.205   1.145   1.257  0.00  0.00    -0.027 S 
ATOM     21  O   LIG    1        3.360   0.769   2.377  0.00  0.00    -0.174 OA
ATOM     22  O   LIG    1        4.234   2.515   0.779  0.00  0.00    -0.174 OA
BRANCH  20  24
ATOM     23  C   LIG    1        6.897   0.998   0.644  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1        5.871   0.701   1.718  0.00  0.00    +0.163 C 
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  O   LIG    1       -1.593   0.776  -1.614  0.00  0.00    -0.452 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.223   1.916  -1.164  0.00  0.00    +0.164 A 
ATOM     27  C   LIG    1       -3.205   2.459  -1.997  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -3.465   1.895  -3.186  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -3.919   3.591  -1.622  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -3.651   4.175  -0.392  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -4.332   5.266  -0.018  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -2.689   3.643   0.463  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -1.975   2.505   0.082  0.00  0.00    +0.052 A 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6