REMARK  Name = BDB033383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.772   1.183   1.046  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.552   0.823   0.239  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.708  -0.278   0.552  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.591  -0.532  -0.258  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.067  -1.615   0.284  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.963  -1.961  -0.042  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -0.600  -2.082   1.382  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.284   0.246  -1.383  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.103   1.339  -1.661  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.703  -1.279   1.575  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.213   1.621  -0.871  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.840  -0.016  -2.220  0.00  0.00    -0.212 N 
ATOM     13  H   LIG    1        1.087  -0.999  -2.325  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.247   0.905  -1.932  0.00  0.00    +0.096 S 
ATOM     15  O   LIG    1        3.180   0.552  -2.983  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        1.887   2.281  -1.664  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.000   0.258  -0.447  0.00  0.00    +0.236 A 
ATOM     18  S   LIG    1        4.080   1.267   0.409  0.00  0.00    -0.055 S 
ATOM     19  C   LIG    1        4.347  -0.007   1.527  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        3.606  -1.112   1.162  0.00  0.00    +0.120 A 
ATOM     21  N   LIG    1        2.828  -0.969   0.025  0.00  0.00    -0.229 NA
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  22
ATOM     22  C   LIG    1       -2.641  -1.448   2.641  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -3.398  -1.589   3.510  0.00  0.00    -0.191 NA
ENDBRANCH  10  22
TORSDOF 4