REMARK  Name = BDB029996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.197  -0.142  -0.125  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.031  -1.054   0.311  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.483   0.308  -0.360  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.711   1.206  -1.170  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.595  -0.332   0.391  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.391  -1.381   1.287  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.154  -1.862   1.497  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.469  -1.943   1.968  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        3.219  -3.238   3.076  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.762  -1.462   1.758  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.993  -0.411   0.860  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.900   0.148   0.181  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.353   0.067   0.662  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.430  -0.442   1.355  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.478   0.220   0.918  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.125   1.134  -0.029  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.028   2.022  -0.716  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.772   1.053  -0.208  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.857   0.294  -1.150  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.448   0.994  -1.792  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.498  -0.996  -2.062  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.867  -0.931  -3.361  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.427  -2.185  -1.240  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.207  -0.489  -2.238  0.00  0.00    +0.190 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -6.141  -0.232   0.167  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -5.009   0.479   0.885  0.00  0.00    +0.137 C 
ATOM     27  O   LIG    1       -5.122   1.074   1.949  0.00  0.00    -0.297 OA
ATOM     28  C   LIG    1       -3.703   0.373   0.134  0.00  0.00    +0.079 C 
ATOM     29  C   LIG    1       -4.035  -0.639  -0.965  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.525  -0.394  -1.229  0.00  0.00    +0.016 C 
BRANCH  25  32
ATOM     31  C   LIG    1       -8.239   0.443   1.421  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -7.447   0.555   0.125  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH  24  29
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7