REMARK  Name = BDB029837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.674   0.035  -1.016  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.488  -0.673  -0.934  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.338  -1.366  -0.195  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.746   1.087  -1.650  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.242  -0.289   0.224  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        4.083   0.171  -0.425  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.860  -0.509  -0.304  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.804  -1.662   0.476  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.649  -2.332   0.616  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.947  -2.130   1.123  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.880  -3.558   2.085  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.161  -1.451   1.001  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.907   1.369   0.644  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.535   1.176   0.252  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.673   0.232   0.739  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.487   0.448   0.067  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.625   1.500  -0.810  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.864   1.915  -0.676  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.771   0.087  -1.372  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.499   0.990  -1.797  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.868   0.380  -0.090  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.731  -0.728   0.833  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.666   1.750   0.322  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.421   0.249  -0.973  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.636   0.632  -0.111  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -4.852  -0.367   1.046  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -6.308  -0.396   1.500  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.230  -0.900   0.377  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.727  -0.501  -1.021  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.899   0.780  -0.989  0.00  0.00    +0.007 C 
BRANCH  28  31
ATOM     31  N   LIG    1       -8.585  -0.405   0.622  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -9.213  -0.746  -0.104  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -8.602   0.612   0.555  0.00  0.00    +0.118 HD
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7