REMARK  Name = BDB052635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.526  -0.515  -0.291  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        3.250   0.012  -0.049  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        2.225  -0.386  -0.890  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.791  -0.070  -0.951  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        0.225  -0.841  -2.122  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1        1.305  -1.538  -2.645  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1        1.217  -2.139  -3.450  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1       -0.911  -0.859  -2.553  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.155   0.758  -0.110  0.00  0.00    +0.039 C 
ATOM     10  C   LIG    1        2.474  -1.278  -1.939  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.728  -1.796  -2.199  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        4.773  -1.400  -1.361  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.236   1.006  -0.166  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.365   0.237   0.081  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.491   1.082  -0.153  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -4.924   0.829  -0.054  0.00  0.00    +0.165 C 
ATOM     17  C   LIG    1       -5.834   1.951  -0.548  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -5.236   3.344  -0.286  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -3.829   3.508  -0.888  0.00  0.00    +0.054 C 
ATOM     20  O   LIG    1       -5.370  -0.238   0.372  0.00  0.00    -0.292 OA
ATOM     21  C   LIG    1       -3.011   2.320  -0.526  0.00  0.00    +0.027 A 
ATOM     22  N   LIG    1       -1.645   2.271  -0.526  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1       -1.029   3.031  -0.784  0.00  0.00    +0.166 HD
BRANCH  14  24
ATOM     24  C   LIG    1       -2.427  -1.206   0.480  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.914  -1.391   1.912  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.711  -2.658   2.034  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -3.280  -3.681   2.546  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.958  -2.569   1.523  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -5.166  -1.691   1.110  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  14  24
ENDBRANCH   9  13
BRANCH   1  30
ATOM     30  S   LIG    1        5.884  -0.012   0.749  0.00  0.00    -0.003 S 
ATOM     31  O   LIG    1        5.493   1.234   1.382  0.00  0.00    -0.169 OA
ATOM     32  O   LIG    1        7.087  -0.096  -0.056  0.00  0.00    -0.169 OA
BRANCH  30  34
ATOM     33  C   LIG    1        7.039  -1.044   2.998  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1        5.934  -1.291   1.991  0.00  0.00    +0.168 C 
ENDBRANCH  30  34
ENDBRANCH   1  30
TORSDOF 7