REMARK  Name = BDB016530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.933   3.808   1.692  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1       -1.617   2.550   1.426  0.00  0.00    -0.305 N 
ATOM      3  C   LIG    1       -0.876   1.363   1.177  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.544   0.145   0.930  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -0.777  -1.012   0.689  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        0.618  -0.976   0.686  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        1.265   0.230   0.921  0.00  0.00    +0.107 A 
ATOM      8  N   LIG    1       -2.969   0.099   0.931  0.00  0.00    -0.302 N 
ATOM      9  C   LIG    1       -3.738   1.242   1.157  0.00  0.00    +0.317 A 
ATOM     10  O   LIG    1       -4.967   1.247   1.157  0.00  0.00    -0.262 OA
ATOM     11  C   LIG    1        0.532   1.390   1.173  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -3.010   2.561   1.425  0.00  0.00    +0.316 A 
ATOM     13  O   LIG    1       -3.681   3.570   1.628  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   7  14
ATOM     14  S   LIG    1        3.040   0.271   0.934  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        3.457   1.599   1.330  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        3.493  -0.916   1.624  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        3.370   0.155  -0.730  0.00  0.00    -0.184 NA
ATOM     18  H   LIG    1        3.513   1.103  -1.090  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        4.502  -0.732  -1.105  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        4.428  -1.401  -2.460  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        4.281  -2.220  -1.213  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        5.857  -0.237  -0.660  0.00  0.00    +0.029 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   7  14
BRANCH   8  23
ATOM     23  C   LIG    1       -3.699  -1.137   0.659  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.814  -1.378  -0.822  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -4.932  -0.755  -1.619  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.931  -2.237  -1.362  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 5