REMARK  Name = BDB013130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.642  -0.053   0.184  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.965   0.966   0.901  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.387   0.806   1.081  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.797   1.918   1.757  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.233   2.697   2.001  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.105  -0.304   0.611  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.470  -1.233  -0.054  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.348   2.095   1.460  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.888  -1.083  -0.253  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.788   1.695  -1.955  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.640   0.770  -1.126  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        3.088  -0.049  -0.117  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1        3.928  -0.895   0.630  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        5.303  -0.925   0.396  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.845  -0.095  -0.584  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        5.027   0.740  -1.350  0.00  0.00    +0.031 A 
BRANCH  15  17
ATOM     17  S   LIG    1        7.596  -0.121  -0.886  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        8.109  -1.383  -0.387  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.806   0.271  -2.267  0.00  0.00    -0.170 OA
ATOM     20  C   LIG    1        8.207   1.176   0.157  0.00  0.00    +0.200 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.460  -0.378   0.858  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.817   0.127   1.662  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.198  -1.603   0.598  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.670  -1.323   0.691  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.376  -0.711  -0.339  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.926  -0.288  -1.687  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.140   0.542  -2.106  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.289   0.124  -1.332  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.739  -0.467  -0.225  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.457  -0.811   0.902  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.766  -1.405   1.957  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.391  -1.651   1.846  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.757  -2.216   2.884  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5