REMARK  Name = BDB023345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567   0.288  -0.858  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1        0.176  -0.077   0.432  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.878  -0.223   1.152  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.220   0.469  -1.776  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.458   0.279  -0.097  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        5.210   0.064   0.506  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        4.092   0.254  -0.303  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        4.145   0.635  -1.638  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.797   0.711  -2.072  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        2.004   0.377  -0.989  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        5.402   0.847  -2.229  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        2.799   0.095   0.093  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        6.551   0.665  -1.444  0.00  0.00    +0.016 A 
BRANCH   5  15
ATOM     14  O   LIG    1        8.844   0.271   0.226  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        7.720   0.108   0.664  0.00  0.00    +0.337 C 
BRANCH  15  16
ATOM     16  O   LIG    1        7.513  -0.262   1.940  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1        8.416  -0.333   2.316  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -1.376   0.031   1.003  0.00  0.00    +0.075 S 
ATOM     19  O   LIG    1       -1.288  -0.349   2.399  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.876   1.325   0.601  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.273  -1.269   0.181  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1       -3.673  -1.197   0.041  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -4.316  -2.240  -0.656  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.601  -3.320  -1.177  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.224  -3.389  -1.005  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -1.558  -2.369  -0.324  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -4.507  -0.133   0.614  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.091   0.843  -0.209  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.899   1.844   0.334  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.140   1.880   1.705  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.572   0.917   2.536  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.763  -0.085   1.994  0.00  0.00    +0.008 A 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 6