REMARK  Name = BDB050310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.081  -0.695   0.471  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.817  -0.156  -0.585  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.209  -0.022  -0.467  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.817  -0.450   0.732  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -5.197  -0.313   0.846  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -5.986   0.222  -0.167  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -5.381   0.639  -1.348  0.00  0.00    +0.004 A 
ATOM      8  N   LIG    1       -3.117  -0.985   1.755  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1       -3.998   0.517  -1.501  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.774  -1.104   1.601  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        0.920  -1.706   1.166  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.389  -0.877   0.436  0.00  0.00    +0.246 C 
ATOM     13  N   LIG    1        1.100  -0.056  -0.414  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        0.650   0.739  -0.848  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.551  -0.126  -0.489  0.00  0.00    +0.111 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.235   0.550   0.699  0.00  0.00    +0.081 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.720   0.550   0.524  0.00  0.00    +0.080 A 
ATOM     18  S   LIG    1        5.704  -0.565   1.389  0.00  0.00    -0.081 S 
ATOM     19  C   LIG    1        7.093   0.097   0.636  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        6.720   1.112  -0.217  0.00  0.00    +0.119 A 
ATOM     21  N   LIG    1        5.365   1.368  -0.282  0.00  0.00    -0.252 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  12
BRANCH   5  22
ATOM     22  O   LIG    1       -5.820  -0.721   2.002  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1       -5.089  -1.066   2.558  0.00  0.00    +0.292 HD
ENDBRANCH   5  22
TORSDOF 5