REMARK  Name = BDB059413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.284  -0.104   0.683  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        1.067  -0.781   0.774  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.105  -0.187   0.288  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -0.041   1.103  -0.263  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        1.188   1.763  -0.381  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.352   1.155   0.091  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.365  -0.928   0.362  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1       -1.688  -1.990  -0.466  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.944  -2.459  -0.123  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.517  -3.583  -0.838  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1       -2.713  -4.098  -1.845  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -3.105  -4.883  -2.349  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -1.469  -3.611  -2.174  0.00  0.00    +0.104 A 
ATOM     14  O   LIG    1       -4.619  -4.075  -0.609  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1       -3.440  -1.689   0.916  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -4.757  -1.837   1.589  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -0.957  -2.572  -1.500  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -2.440  -0.723   1.210  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        3.492  -0.747   1.103  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        3.359  -1.294   1.958  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        4.190  -1.786  -0.051  0.00  0.00    +0.043 S 
ATOM     22  O   LIG    1        3.724  -1.454  -1.379  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        4.032  -3.118   0.492  0.00  0.00    -0.155 OA
BRANCH  21  25
ATOM     24  C   LIG    1        6.190   0.102  -0.294  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.916  -1.339   0.078  0.00  0.00    +0.185 C 
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   4  26
ATOM     26  O   LIG    1       -1.192   1.662  -0.777  0.00  0.00    -0.452 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.519   2.930  -0.355  0.00  0.00    +0.164 A 
ATOM     28  C   LIG    1       -1.513   3.331   0.986  0.00  0.00    +0.168 A 
ATOM     29  F   LIG    1       -1.159   2.479   1.959  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -1.889   4.621   1.343  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -2.287   5.505   0.349  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1       -2.652   6.750   0.684  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.323   5.120  -0.988  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -1.945   3.824  -1.342  0.00  0.00    +0.052 A 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6