REMARK  Name = BDB061011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321  -0.140  -1.223  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.028  -0.188  -0.623  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        1.060  -0.813  -1.294  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.329  -0.834  -0.643  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.502  -0.296   0.641  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.434   0.301   1.290  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.797  -1.387  -2.562  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.459  -1.313  -3.159  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.194   0.359   0.661  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.503  -0.676  -2.503  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  S   LIG    1        3.759  -1.530  -1.450  0.00  0.00    +0.059 S 
ATOM     12  O   LIG    1        3.837  -1.022  -2.802  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1        3.761  -2.946  -1.159  0.00  0.00    -0.153 OA
BRANCH  11  14
ATOM     14  N   LIG    1        5.071  -0.889  -0.624  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1        5.742  -1.598  -0.332  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        5.594   0.397  -1.076  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.523   0.984  -0.042  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        6.022   1.803   0.980  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.877   2.323   1.953  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.238   2.023   1.918  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.745   1.202   0.913  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.892   0.680  -0.061  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   4  11
BRANCH   1  23
ATOM     23  N   LIG    1       -2.351   0.594  -0.581  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -2.266   1.557  -0.912  0.00  0.00    +0.146 HD
BRANCH  23  28
ATOM     25  N   LIG    1       -5.598  -0.580   1.538  0.00  0.00    -0.181 NA
ATOM     26  C   LIG    1       -4.935   0.740   1.470  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1       -4.664   1.127   0.022  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -3.741   0.113  -0.679  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1       -3.873  -1.290  -0.065  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1       -5.281  -1.538   0.459  0.00  0.00    +0.111 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -8.188   0.059   1.145  0.00  0.00    +0.215 C 
ATOM     32  S   LIG    1       -7.088  -0.712   2.315  0.00  0.00    +0.029 S 
ATOM     33  O   LIG    1       -7.054   0.119   3.499  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1       -7.437  -2.114   2.386  0.00  0.00    -0.158 OA
ENDBRANCH  25  32
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 7