REMARK  Name = BDB052105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.955  -1.801   0.037  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -0.383  -2.161   0.253  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.103  -2.741  -0.799  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -0.491  -2.966  -2.036  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.847  -2.626  -2.228  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.575  -2.049  -1.189  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.019  -1.974   1.562  0.00  0.00    +0.031 C 
ATOM      8  C   LIG    1       -1.980  -1.087   1.848  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1       -2.582  -0.072   0.940  0.00  0.00    +0.258 C 
ATOM     10  O   LIG    1       -2.167   0.207  -0.176  0.00  0.00    -0.269 OA
ATOM     11  N   LIG    1       -3.656   0.552   1.559  0.00  0.00    -0.255 N 
ATOM     12  C   LIG    1       -3.896   0.209   2.873  0.00  0.00    +0.121 C 
ATOM     13  S   LIG    1       -5.082   0.801   3.886  0.00  0.00    -0.027 S 
ATOM     14  S   LIG    1       -2.722  -0.987   3.402  0.00  0.00    -0.061 S 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.461   1.491   0.774  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.723   0.867   0.187  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.410  -0.288  -0.726  0.00  0.00    +0.306 C 
ATOM     18  O   LIG    1       -5.207  -1.424  -0.321  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.357   0.035  -2.033  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -5.494   0.978  -2.240  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   2   7
BRANCH   1  21
ATOM     21  O   LIG    1        1.697  -1.240   1.046  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.647   0.193   0.972  0.00  0.00    +0.264 C 
BRANCH  22  27
ATOM     23  C   LIG    1        6.624   2.328  -1.180  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.346   1.757  -0.642  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        5.350   0.990   0.529  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.157   0.483   1.047  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        2.937   0.742   0.409  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        2.933   1.520  -0.755  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.127   2.027  -1.273  0.00  0.00    +0.004 A 
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8