REMARK  Name = BDB039703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.799   0.484   0.112  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.601   0.961  -0.449  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        0.479   0.138  -0.362  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        0.471  -1.112   0.236  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.858  -1.596   0.101  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -1.584  -0.621  -0.567  0.00  0.00    +0.192 A 
ATOM      7  C   LIG    1        1.664  -1.594   0.793  0.00  0.00    +0.013 A 
ATOM      8  O   LIG    1       -0.755   0.435  -0.848  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1        2.812  -0.786   0.720  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.966  -0.521  -0.997  0.00  0.00    +0.298 C 
ATOM     11  N   LIG    1       -3.765  -1.574  -0.541  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1       -3.417  -2.289   0.083  0.00  0.00    +0.177 HD
ATOM     13  O   LIG    1       -3.412   0.396  -1.671  0.00  0.00    -0.265 OA
BRANCH  11  14
ATOM     14  S   LIG    1       -5.361  -1.784  -0.934  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1       -5.515  -1.721  -2.369  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -5.770  -2.965  -0.198  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -6.163  -0.391  -0.187  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -6.449   0.741  -0.956  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -7.104   1.823  -0.369  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -7.484   1.766   0.973  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.215   0.627   1.733  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.557  -0.459   1.154  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   6  10
BRANCH   1  24
ATOM     23  C   LIG    1        3.844   2.556   0.756  0.00  0.00    +0.135 C 
ATOM     24  N   LIG    1        3.981   1.276   0.048  0.00  0.00    -0.303 N 
BRANCH  24  25
ATOM     25  C   LIG    1        5.292   0.761  -0.115  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        5.515  -0.282  -1.034  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.788  -0.822  -1.242  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.876  -0.325  -0.534  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.688   0.710   0.376  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.411   1.248   0.579  0.00  0.00    +0.023 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5