REMARK  Name = BDB053555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.520  -1.356   0.601  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        2.853  -1.684  -0.584  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.466  -1.850  -0.587  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.724  -1.702   0.587  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.385  -1.378   1.770  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.775  -1.209   1.777  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        5.014  -1.139   0.605  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.449   0.177  -0.061  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.164   1.353   0.895  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1        6.006   1.925   1.573  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1        3.865   1.745   0.911  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1        3.267   1.201   0.362  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1        6.831   0.015  -0.399  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1        8.789   0.758  -1.539  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        7.337   1.061  -1.226  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -0.620  -1.885   0.431  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.457  -1.919   1.591  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.941  -0.521   1.978  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.958   0.009   1.031  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -2.789   0.647  -0.178  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1       -1.631   1.038  -0.998  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1       -4.027   0.938  -0.673  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1       -4.909   0.462   0.271  0.00  0.00    +0.234 A 
ATOM     24  N   LIG    1       -4.303  -0.100   1.306  0.00  0.00    -0.213 NA
BRANCH  23  25
ATOM     25  C   LIG    1       -6.338   0.560   0.154  0.00  0.00    +0.074 A 
ATOM     26  S   LIG    1       -7.088   1.291  -1.201  0.00  0.00    -0.089 S 
ATOM     27  C   LIG    1       -8.658   1.007  -0.583  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1       -9.852   1.446  -1.360  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -8.615   0.365   0.636  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -7.278   0.108   1.060  0.00  0.00    +0.021 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11