REMARK  Name = BDB030215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.024  -0.124  -0.952  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.129  -0.375  -1.975  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.312  -1.085  -2.688  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.705   0.515   0.049  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.647  -0.880  -0.116  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.321  -0.413  -0.054  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.406  -0.656  -1.094  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.825  -1.380  -2.208  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.972  -1.633  -3.214  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.134  -1.850  -2.288  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.659  -2.741  -3.666  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -5.039  -1.603  -1.253  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -6.915   2.356   2.987  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -6.694   0.950   2.512  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -5.797   0.688   1.465  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.596  -0.616   0.979  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.329  -1.659   1.568  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.234  -1.407   2.601  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.420  -0.107   3.067  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.343  -0.148  -1.650  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.451   0.285  -0.712  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.281  -1.570  -1.673  0.00  0.00    +0.046 S 
ATOM     23  O   LIG    1        2.025  -2.265  -0.429  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.004  -2.217  -2.941  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.964  -0.967  -1.693  0.00  0.00    +0.206 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.147   0.472  -1.183  0.00  0.00    +0.093 C 
ATOM     27  N   LIG    1        3.580   0.672   0.177  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1        3.366   2.090   0.479  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        4.448   0.041   1.199  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        5.953   0.378   1.077  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        6.476   0.138  -0.282  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1        7.878   0.535  -0.376  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        5.655   0.858  -1.271  0.00  0.00    +0.104 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6