REMARK  Name = BDB023346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.555   0.778   1.295  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -2.016   1.688   0.273  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.576   1.139   2.698  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.375  -0.797   1.169  0.00  0.00    +0.116 A 
ATOM      5  C   LIG    1       -3.736  -0.885   0.819  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.307  -2.170   0.723  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.560  -3.323   0.971  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.224  -3.218   1.337  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.631  -1.960   1.442  0.00  0.00    +0.029 A 
BRANCH   5  10
ATOM     10  C   LIG    1       -4.613   0.278   0.606  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -4.962   0.734  -0.685  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -4.417   0.080  -1.927  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.837   1.825  -0.818  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.354   2.469   0.306  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.008   2.029   1.578  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.147   0.941   1.727  0.00  0.00    +0.009 A 
ENDBRANCH   5  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     17  C   LIG    1        0.514   0.099  -0.308  0.00  0.00    +0.298 C 
ATOM     18  N   LIG    1        0.035   0.457   0.955  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1        0.687   0.703   1.694  0.00  0.00    +0.177 HD
ATOM     20  O   LIG    1       -0.209  -0.226  -1.238  0.00  0.00    -0.265 OA
BRANCH  17  27
ATOM     21  C   LIG    1        7.529   0.796   1.659  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        6.343   0.497   0.787  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        5.047   0.628   1.302  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        3.994   0.366   0.430  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        4.148  -0.001  -0.902  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        2.828  -0.163  -1.404  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        1.958   0.112  -0.365  0.00  0.00    +0.192 A 
ATOM     28  C   LIG    1        5.452  -0.120  -1.432  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1        5.747  -0.499  -2.856  0.00  0.00    +0.044 C 
ATOM     30  O   LIG    1        2.675   0.434   0.759  0.00  0.00    -0.450 OA
ATOM     31  C   LIG    1        6.532   0.142  -0.558  0.00  0.00    +0.007 A 
ENDBRANCH  17  27
ENDBRANCH   1  18
TORSDOF 4