REMARK  Name = BDB015717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.189  -0.446  -0.017  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.346   0.848   0.294  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.242   1.621   0.262  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.002   1.117  -0.067  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.025  -0.209  -0.417  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.032  -1.022  -0.373  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.415   3.051   0.618  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.303   3.378   1.577  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.517   4.689   1.977  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.491   4.941   3.028  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.832   5.762   1.414  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.963   6.938   1.738  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -0.874   5.413   0.333  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.693   4.137  -0.030  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.205  -0.930  -0.709  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        0.971  -1.903  -0.918  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.268  -0.328  -1.858  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        2.575  -1.432  -2.741  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.781   0.933  -2.377  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.714   0.010  -0.867  0.00  0.00    +0.189 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.269  -1.233  -0.188  0.00  0.00    +0.028 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.485  -0.905   0.630  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1        6.842  -0.834  -0.019  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.511  -1.971   0.908  0.00  0.00    +0.004 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -3.355  -1.201   0.035  0.00  0.00    -0.422 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.872  -2.196  -2.586  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -3.479  -3.085  -1.440  0.00  0.00    -0.007 A 
ATOM     28  C   LIG    1       -3.207  -2.554  -0.167  0.00  0.00    +0.153 A 
ATOM     29  C   LIG    1       -2.857  -3.399   0.896  0.00  0.00    +0.084 A 
ATOM     30 CL   LIG    1       -2.579  -2.787   2.487  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1       -2.732  -4.772   0.683  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -2.968  -5.303  -0.585  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -3.339  -4.465  -1.639  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8