REMARK  Name = BDB059972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.827  -2.163   0.140  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.053  -1.026  -0.399  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.026  -0.460   0.558  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -1.962  -1.466   1.107  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -1.180  -2.597   1.652  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.107  -3.167   0.692  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.830  -1.760   1.147  0.00  0.00    +0.095 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.025  -0.949   0.607  0.00  0.00    +0.092 C 
BRANCH   8   9
ATOM      9  S   LIG    1        3.962  -1.857  -0.665  0.00  0.00    -0.087 S 
BRANCH   9  18
ATOM     10  O   LIG    1        7.703  -0.730  -3.508  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        7.000  -0.347  -2.581  0.00  0.00    +0.260 A 
ATOM     12  C   LIG    1        7.222   0.944  -1.906  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        6.369   1.272  -0.846  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        6.562   2.489  -0.187  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        7.583   3.358  -0.585  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        8.424   3.016  -1.646  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        5.333   0.423  -0.417  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        5.183  -0.688  -1.053  0.00  0.00    +0.170 A 
ATOM     19  C   LIG    1        8.247   1.804  -2.311  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1        5.957  -1.090  -2.097  0.00  0.00    -0.301 N 
ATOM     21  H   LIG    1        5.769  -1.981  -2.531  0.00  0.00    +0.171 HD
ENDBRANCH   9  18
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -2.944  -1.887   0.087  0.00  0.00    +0.095 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.120  -2.742   0.607  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  S   LIG    1       -4.950  -2.082   2.092  0.00  0.00    -0.087 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.354  -0.503   1.505  0.00  0.00    +0.170 A 
ATOM     26  N   LIG    1       -4.963   0.488   2.349  0.00  0.00    -0.301 N 
ATOM     27  H   LIG    1       -4.461   0.243   3.189  0.00  0.00    +0.171 HD
ATOM     28  C   LIG    1       -5.153   1.814   2.071  0.00  0.00    +0.260 A 
ATOM     29  O   LIG    1       -4.762   2.706   2.814  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -5.856   2.101   0.806  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -6.234   1.010   0.015  0.00  0.00    +0.079 A 
ATOM     32  C   LIG    1       -6.902   1.256  -1.185  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -7.185   2.566  -1.586  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -6.798   3.644  -0.788  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -6.131   3.414   0.415  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -5.963  -0.320   0.383  0.00  0.00    -0.223 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8