REMARK  Name = BDB059399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735   0.909   0.004  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.493   0.583   0.557  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.607  -0.338   0.985  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.838   1.694  -0.936  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.228  -0.513   0.271  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -3.079   0.127  -0.215  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -1.925   0.224   0.576  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.929  -0.302   1.874  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.073  -0.933   2.366  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.214  -1.040   1.569  0.00  0.00    +0.003 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.374   0.604  -0.390  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -5.469  -0.604  -0.580  0.00  0.00    +0.032 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  N   LIG    1        1.718   1.033  -0.275  0.00  0.00    -0.108 NA
ATOM     14  H   LIG    1        1.399   1.644  -1.046  0.00  0.00    +0.172 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.590  -0.275  -0.956  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        2.332  -1.435  -0.124  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        2.319  -0.277  -2.376  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.261   0.249  -0.689  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        4.858   0.029   0.556  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        6.181   0.422   0.761  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.900   1.021  -0.275  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.302   1.227  -1.520  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.980   0.837  -1.733  0.00  0.00    +0.028 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 5