REMARK  Name = BDB061029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.481  -4.014   3.536  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.177  -2.845   2.634  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -0.064  -2.000   2.850  0.00  0.00    -0.021 A 
ATOM      4  C   LIG    1        0.858  -2.238   4.020  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1        0.163  -0.954   1.931  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -0.735  -0.710   0.880  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -1.851  -1.523   0.692  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.061  -2.587   1.565  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   7   9
ATOM      9  N   LIG    1       -2.703  -1.201  -0.378  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -2.464  -0.385  -0.937  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.833  -1.870  -0.816  0.00  0.00    +0.239 C 
ATOM     12  O   LIG    1       -4.229  -2.960  -0.409  0.00  0.00    -0.273 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.491  -1.195  -2.024  0.00  0.00    +0.243 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.303   0.262  -2.025  0.00  0.00    -0.219 N 
ATOM     15  C   LIG    1       -5.308   1.078  -1.502  0.00  0.00    +0.288 A 
ATOM     16  O   LIG    1       -6.350   0.631  -1.030  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1       -5.053   2.547  -1.555  0.00  0.00    +0.126 A 
ATOM     18 CL   LIG    1       -6.300   3.582  -0.956  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1       -3.906   3.008  -2.053  0.00  0.00    +0.084 A 
ATOM     20 CL   LIG    1       -3.458   4.658  -2.187  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -2.932   2.014  -2.517  0.00  0.00    +0.154 A 
ATOM     22  N   LIG    1       -3.095   0.730  -2.501  0.00  0.00    -0.175 NA
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   7   9
BRANCH   5  23
ATOM     23  S   LIG    1        1.607   0.094   2.035  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        2.746  -0.704   2.433  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        1.203   1.282   2.753  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        1.870   0.561   0.445  0.00  0.00    -0.190 NA
ATOM     27  H   LIG    1        2.075   1.565   0.340  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        2.660  -0.305  -0.446  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.151   0.046  -0.398  0.00  0.00    +0.072 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.488   1.415  -0.951  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1        3.556   2.399  -0.847  0.00  0.00    -0.260 NA
ATOM     32  C   LIG    1        3.897   3.629  -1.294  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        5.130   3.937  -1.840  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.077   2.925  -1.929  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        5.758   1.649  -1.474  0.00  0.00    +0.023 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   5  23
TORSDOF 8