REMARK  Name = BDB053784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.530  -0.037   0.676  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        0.360   0.519   0.285  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1       -0.823  -0.238   0.427  0.00  0.00    -0.212 N 
ATOM      4  C   LIG    1       -0.795  -1.517   0.988  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -2.088  -1.977   0.959  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.863  -0.942   0.382  0.00  0.00    +0.095 A 
ATOM      7  N   LIG    1        0.351  -2.087   1.456  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1       -2.085   0.104   0.069  0.00  0.00    -0.164 NA
ATOM      9  C   LIG    1        1.429  -1.375   1.315  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        0.264   1.881  -0.279  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        0.032   2.066  -1.648  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -0.058   3.353  -2.180  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.081   4.464  -1.349  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.305   4.290   0.015  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.394   3.004   0.551  0.00  0.00    +0.010 A 
ENDBRANCH   2  10
BRANCH   6  16
ATOM     16  C   LIG    1       -4.310  -0.922   0.124  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.923   0.230  -0.395  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -6.298   0.263  -0.644  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.081  -0.857  -0.378  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -6.490  -2.009   0.137  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.114  -2.042   0.387  0.00  0.00    +0.010 A 
ENDBRANCH   6  16
BRANCH   1  23
ATOM     22  O   LIG    1        3.272   1.526   1.763  0.00  0.00    -0.164 OA
ATOM     23  S   LIG    1        3.050   0.767   0.544  0.00  0.00    +0.029 S 
ATOM     24  O   LIG    1        3.198   1.399  -0.754  0.00  0.00    -0.164 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.265  -0.543   0.534  0.00  0.00    +0.094 A 
ATOM     26  C   LIG    1        5.080  -0.753   1.651  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        6.019  -1.783   1.626  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.149  -2.586   0.491  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.347  -2.358  -0.629  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.404  -1.331  -0.615  0.00  0.00    +0.027 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4