REMARK  Name = BDB048634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.335   0.074  -1.845  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1        4.061   0.123  -1.153  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        2.994   0.252  -2.045  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.659   0.326  -1.597  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.383   0.262  -0.228  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        2.426   0.129   0.678  0.00  0.00    +0.046 A 
ATOM      7  S   LIG    1        3.536   0.302  -3.675  0.00  0.00    -0.096 S 
ATOM      8  C   LIG    1        3.753   0.060   0.229  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.167   0.154  -3.213  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        6.674  -0.035  -1.171  0.00  0.00    +0.156 C 
BRANCH  10  12
ATOM     11  O   LIG    1        6.288  -2.421  -0.790  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1        6.996  -1.433  -0.679  0.00  0.00    +0.309 C 
BRANCH  12  13
ATOM     13  O   LIG    1        8.207  -1.495  -0.066  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1        8.693  -0.649  -0.038  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.052   0.341   0.081  0.00  0.00    -0.486 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -0.306   0.249   1.465  0.00  0.00    +0.287 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.786   0.325   1.654  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1       -2.299   0.493   2.880  0.00  0.00    -0.079 NA
ATOM     19  O   LIG    1       -3.672   0.516   2.711  0.00  0.00    -0.354 OA
ATOM     20  C   LIG    1       -3.983   0.359   1.392  0.00  0.00    +0.168 A 
ATOM     21  C   LIG    1       -2.811   0.232   0.683  0.00  0.00    +0.079 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.402   0.361   1.049  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.812   0.206  -0.285  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -7.170   0.206  -0.626  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -8.133   0.361   0.366  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -9.801   0.362  -0.051  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -7.750   0.517   1.695  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -6.393   0.516   2.033  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 7