REMARK  Name = BDB013141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.989   0.646   0.379  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.097   1.737   0.212  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.051   1.729   0.968  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.680   2.904   0.676  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.996   3.565  -0.231  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.365   0.701   1.863  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.519  -0.281   2.047  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.127   2.826  -0.528  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.637  -0.285   1.291  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.381   2.385   0.905  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.389   1.283  -0.116  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        2.258   0.481  -0.353  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.352  -0.521  -1.335  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        3.538  -0.703  -2.037  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1        4.594   0.131  -1.719  0.00  0.00    +0.176 A 
ATOM     16  N   LIG    1        4.558   1.120  -0.791  0.00  0.00    -0.233 NA
BRANCH  15  17
ATOM     17  S   LIG    1        6.136  -0.014  -2.594  0.00  0.00    +0.011 S 
ATOM     18  O   LIG    1        6.940  -0.997  -1.890  0.00  0.00    -0.168 OA
ATOM     19  O   LIG    1        5.814  -0.193  -4.000  0.00  0.00    -0.168 OA
ATOM     20  C   LIG    1        6.913   1.570  -2.424  0.00  0.00    +0.202 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.537   0.689   2.590  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.469  -0.078   3.256  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.850   0.649   1.950  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.944  -0.409   0.888  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -3.897  -1.772   1.164  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.703  -2.491   2.446  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -4.070  -3.906   1.999  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -3.885  -4.009   0.570  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.960  -2.710   0.139  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -4.068  -2.350  -1.189  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -4.129  -0.990  -1.489  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.070  -0.042  -0.459  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.127   1.257  -0.786  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5