REMARK  Name = BDB029948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.580  -0.743  -0.637  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.490  -1.478  -0.203  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.439  -1.829   0.757  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.513  -0.034  -1.640  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.187  -0.181   0.389  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.969  -0.141  -0.312  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.837  -0.831   0.153  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.933  -1.567   1.333  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.867  -2.232   1.807  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.136  -1.615   2.035  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.256  -2.528   3.493  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.259  -0.929   1.570  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        9.646   1.924  -0.222  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        8.290   1.473  -0.401  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        7.560   0.720   0.476  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        6.333   0.548  -0.134  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        6.320   1.183  -1.355  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        7.507   1.729  -1.487  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -0.858  -1.098  -0.827  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.705  -0.432  -1.603  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.958  -0.417   0.292  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.910   1.015   0.102  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.683  -1.026   1.577  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.501  -1.053  -0.353  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.665  -0.628   0.535  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -6.057  -1.111   0.048  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -6.249   0.269  -0.619  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -5.206   0.819   0.379  0.00  0.00    +0.027 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -7.595   0.842  -0.473  0.00  0.00    -0.297 N 
ATOM     30  H   LIG    1       -7.864   1.289   0.393  0.00  0.00    +0.151 HD
ATOM     31  C   LIG    1       -8.643   0.396  -1.224  0.00  0.00    +0.297 C 
ATOM     32  O   LIG    1       -8.585  -0.465  -2.089  0.00  0.00    -0.253 OA
ATOM     33  N   LIG    1       -9.807   1.022  -0.912  0.00  0.00    -0.313 N 
ATOM     34  H   LIG    1       -9.741   2.014  -0.739  0.00  0.00    +0.146 HD
ATOM     35  H   LIG    1      -10.557   0.770  -1.545  0.00  0.00    +0.146 HD
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7