REMARK  Name = BDB031655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547  -1.246  -1.682  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.035  -1.462  -0.394  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.108  -0.805   0.086  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.307  -1.266   1.428  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.305  -2.166   1.721  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -1.772   0.109  -0.778  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -1.256   0.322  -2.070  0.00  0.00    +0.011 A 
ATOM      8  N   LIG    1        0.494  -2.278   0.619  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        1.310  -2.872   0.554  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -0.115  -0.340  -2.510  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.967   0.820  -0.330  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -2.864   2.076   0.286  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.006   2.756   0.713  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.265   2.189   0.526  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.384   0.945  -0.090  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.242   0.265  -0.518  0.00  0.00    +0.008 A 
ENDBRANCH   6  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.744  -1.874  -2.110  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1        1.918  -2.847  -1.873  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.141  -0.957  -2.323  0.00  0.00    +0.072 S 
ATOM     20  O   LIG    1        2.911   0.055  -3.330  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.226  -1.908  -2.440  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        4.145  -0.150   1.520  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.008  -0.789   0.284  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.325  -0.141  -0.751  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        2.811   1.147  -0.574  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        2.951   1.780   0.660  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        3.613   1.132   1.707  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1        5.353  -1.366   3.467  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        4.821  -0.812   2.598  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  30
ATOM     30  C   LIG    1       -2.335  -0.895   2.353  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -3.145  -0.624   3.139  0.00  0.00    -0.191 NA
ENDBRANCH   4  30
TORSDOF 6