REMARK  Name = BDB052148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.557  -2.115  -2.821  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -6.670  -1.579  -2.162  0.00  0.00    +0.253 A 
ATOM      3  C   LIG    1       -6.980  -0.663  -1.018  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -8.458  -0.547  -0.758  0.00  0.00    +0.110 C 
ATOM      5  S   LIG    1       -8.871   0.153   0.865  0.00  0.00    -0.156 S 
ATOM      6  C   LIG    1       -7.672   1.502   0.847  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -6.248   0.957   0.764  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -5.983  -0.042  -0.345  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1       -4.569  -0.339  -0.695  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.301  -1.208  -1.760  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.992  -1.514  -2.139  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.916  -0.960  -1.443  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.150  -0.108  -0.367  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -3.470   0.195  -0.003  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1       -5.357  -1.788  -2.461  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -5.179  -2.415  -3.233  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  17
ATOM     17  O   LIG    1       -1.203   0.503   0.405  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.180   0.192   0.199  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        0.908   0.436   1.530  0.00  0.00    +0.060 C 
ATOM     20  C   LIG    1        2.373   0.847   1.347  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1        2.924   0.241   0.133  0.00  0.00    -0.302 NA
ATOM     22  C   LIG    1        2.270   0.790  -1.071  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1        0.781   1.091  -0.877  0.00  0.00    +0.060 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.388   0.392   0.026  0.00  0.00    +0.089 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.162  -0.495   1.017  0.00  0.00    +0.050 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.654  -0.401   0.795  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        7.403   0.605   1.420  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        8.778   0.702   1.199  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.414  -0.201   0.349  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.677  -1.201  -0.281  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.302  -1.301  -0.061  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 5