REMARK  Name = BDB018851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.071  -0.344   0.666  0.00  0.00    +0.167 A 
ATOM      2  S   LIG    1        0.093   1.067   1.640  0.00  0.00    -0.060 S 
ATOM      3  C   LIG    1        1.803   1.106   1.545  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        2.261   0.022   0.824  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        1.257  -0.806   0.342  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.667  -0.271   0.552  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.710   0.293   1.303  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        6.045  -0.012   1.012  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        6.347  -0.886  -0.030  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        7.988  -1.259  -0.384  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        5.327  -1.460  -0.782  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.994  -1.155  -0.490  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     13  C   LIG    1       -1.062  -2.453   0.169  0.00  0.00    +0.140 C 
ATOM     14  N   LIG    1       -1.117  -1.013   0.378  0.00  0.00    -0.252 N 
ATOM     15  C   LIG    1       -2.374  -0.452   0.578  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -3.299  -1.101   1.077  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.635   0.933  -0.061  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -3.510   0.776  -1.274  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -4.863   1.309  -0.976  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -4.883   1.551   0.524  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.434   1.855   0.859  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.212   0.002  -2.324  0.00  0.00    +0.170 C 
ATOM     23  N   LIG    1       -2.934  -0.671  -3.223  0.00  0.00    -0.174 NA
ENDBRANCH  18  22
ENDBRANCH  15  17
ENDBRANCH   1  14
TORSDOF 4