REMARK  Name = BDB056059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.734  -0.325  -0.027  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -3.086   0.101   1.142  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.727  -0.157   1.342  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.984  -0.850   0.378  0.00  0.00    -0.037 A 
ATOM      5  C   LIG    1       -1.624  -1.268  -0.796  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.983  -1.009  -0.995  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -7.890   0.539  -0.719  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -7.537  -0.450   0.197  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -6.182  -0.749   0.438  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -5.162  -0.053  -0.241  0.00  0.00    -0.000 A 
ATOM     11  C   LIG    1       -5.539   0.939  -1.163  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -6.885   1.229  -1.396  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1      -10.229   0.251  -0.380  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -9.162   0.921  -1.041  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
BRANCH   9  15
ATOM     15  C   LIG    1       -5.879  -1.786   1.385  0.00  0.00    +0.100 C 
ATOM     16  N   LIG    1       -5.673  -2.625   2.161  0.00  0.00    -0.191 NA
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  C   LIG    1        0.486  -1.120   0.589  0.00  0.00    +0.114 C 
BRANCH  17  18
ATOM     18  S   LIG    1        1.504   0.232  -0.069  0.00  0.00    -0.061 S 
BRANCH  18  19
ATOM     19  C   LIG    1        3.087  -0.363   0.315  0.00  0.00    +0.278 A 
ATOM     20  O   LIG    1        4.228   0.333   0.015  0.00  0.00    -0.411 OA
ATOM     21  C   LIG    1        5.206  -0.500   0.490  0.00  0.00    +0.249 A 
ATOM     22  N   LIG    1        4.715  -1.598   1.028  0.00  0.00    -0.106 NA
ATOM     23  N   LIG    1        3.343  -1.509   0.913  0.00  0.00    -0.101 NA
BRANCH  21  24
ATOM     24  C   LIG    1        6.590  -0.068   0.339  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        6.917   1.155  -0.271  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        8.250   1.496  -0.379  0.00  0.00    +0.167 A 
ATOM     27  O   LIG    1        8.732   2.638  -0.938  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1       10.153   2.446  -0.768  0.00  0.00    +0.466 C 
ATOM     29  O   LIG    1       10.488   1.203  -0.116  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1        9.251   0.679   0.090  0.00  0.00    +0.166 A 
ATOM     31  C   LIG    1        8.976  -0.527   0.693  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        7.632  -0.899   0.816  0.00  0.00    +0.017 A 
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7