REMARK  Name = BDB055802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.755  -1.453   1.290  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1        1.887  -1.212  -0.081  0.00  0.00    +0.146 A 
ATOM      3  C   LIG    1        0.753  -1.081  -0.882  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.521  -1.143  -0.308  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.672  -1.384   1.060  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.473  -1.515   1.856  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        3.815  -1.799   2.828  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1        2.900  -1.646   2.131  0.00  0.00    +0.103 C 
ENDBRANCH   1   8
BRANCH   5   9
ATOM      9  N   LIG    1       -1.928  -1.376   1.736  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -1.960  -1.648   2.719  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1       -3.406  -1.677   0.984  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -4.326  -1.948   2.068  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -3.174  -2.618  -0.087  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -3.899  -0.120   0.292  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.948  -0.063  -0.632  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -5.873  -1.435  -1.122  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -5.316   1.169  -1.187  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.647   2.333  -0.814  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -5.104   3.841  -1.502  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -3.614   2.284   0.118  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.241   1.060   0.676  0.00  0.00    +0.032 A 
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   2  22
ATOM     22  O   LIG    1        3.113  -1.168  -0.702  0.00  0.00    -0.453 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.858  -0.024  -0.530  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1        5.244  -0.175  -0.526  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        6.048   0.949  -0.369  0.00  0.00    +0.063 A 
ATOM     26 CL   LIG    1        7.757   0.804  -0.350  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.437   2.188  -0.232  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        4.094   2.372  -0.250  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1        3.336   1.260  -0.405  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6