REMARK  Name = BDB030124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.100   0.405   1.248  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.044   1.272   1.029  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.987   1.828   0.171  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.019  -0.504   2.072  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.633  -0.111  -0.029  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.435  -0.240   0.695  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.337   0.600   0.446  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.448   1.579  -0.539  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.414   2.396  -0.804  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.632   1.720  -1.262  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.771   2.934  -2.478  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.721   0.883  -1.012  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.949  -2.565  -0.127  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.638  -2.085   0.225  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.929  -1.117  -0.433  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.744  -1.003   0.265  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.733  -1.883   1.324  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.882  -2.518   1.273  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.308   0.829   1.603  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.173  -0.005   2.200  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.474   0.477   0.402  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.507  -0.962   0.271  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.193   1.345  -0.723  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.958   1.034   1.232  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.194   1.028   0.322  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -4.606  -0.397  -0.089  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -5.986  -0.489  -0.697  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -6.922   0.551  -0.573  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -8.194   0.406  -1.147  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.544  -0.767  -1.814  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.624  -1.806  -1.920  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.570   1.845   0.113  0.00  0.00    +0.036 C 
ATOM     33  C   LIG    1       -6.353  -1.668  -1.363  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -5.364   1.716   1.040  0.00  0.00    +0.010 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6