REMARK  Name = BDB003144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811  -1.518   2.807  0.00  0.00    +0.069 C 
ATOM      2  C   LIG    1        0.298  -1.338   1.424  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        0.998  -1.462   0.201  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.074  -1.226  -0.798  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        0.198  -1.246  -2.279  0.00  0.00    +0.068 C 
ATOM      6  N   LIG    1       -1.102  -0.926  -0.130  0.00  0.00    -0.132 N 
ATOM      7  N   LIG    1       -0.983  -1.007   1.226  0.00  0.00    -0.154 NA
ENDROOT
BRANCH   6   8
ATOM      8  S   LIG    1       -2.577  -0.532  -0.952  0.00  0.00    +0.099 S 
ATOM      9  O   LIG    1       -3.039  -1.778  -1.536  0.00  0.00    -0.146 OA
ATOM     10  O   LIG    1       -2.263   0.631  -1.765  0.00  0.00    -0.146 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.702  -0.046   0.328  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1       -3.857   1.310   0.638  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.760   1.687   1.635  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -5.502   0.714   2.306  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -6.611   1.184   3.534  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -5.355  -0.637   1.986  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -4.455  -1.022   0.990  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
ENDBRANCH   6   8
BRANCH   3  18
ATOM     18  S   LIG    1        2.690  -1.862   0.035  0.00  0.00    -0.086 S 
BRANCH  18  19
ATOM     19  C   LIG    1        3.339  -0.442  -0.829  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.154   0.858  -0.339  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        3.678   1.957  -1.027  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.398   1.752  -2.210  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.599   0.457  -2.703  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.071  -0.635  -2.007  0.00  0.00    +0.017 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.952   2.903  -2.936  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        4.766   4.030  -2.455  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        5.571   2.678  -3.985  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5