REMARK  Name = BDB002790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.922   2.902   0.431  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.969   1.408   0.326  0.00  0.00    +0.128 A 
ATOM      3  N   LIG    1       -2.739   0.757   1.208  0.00  0.00    -0.225 NA
ATOM      4  C   LIG    1       -2.746  -0.573   1.026  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.051  -1.279   0.057  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.309  -2.689   0.173  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.167  -2.987   1.209  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.273  -0.491  -0.796  0.00  0.00    +0.109 A 
ATOM      9  S   LIG    1       -3.668  -1.582   2.045  0.00  0.00    -0.077 S 
ATOM     10  N   LIG    1       -1.259   0.849  -0.667  0.00  0.00    -0.225 NA
ENDROOT
BRANCH   8  11
ATOM     11  S   LIG    1       -0.295  -1.224  -2.071  0.00  0.00    -0.101 S 
BRANCH  11  12
ATOM     12  C   LIG    1        1.172  -1.675  -1.093  0.00  0.00    +0.111 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.950  -0.493  -0.571  0.00  0.00    -0.037 A 
ATOM     14  C   LIG    1        1.900  -0.151   0.789  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.617   0.946   1.271  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.391   1.711   0.402  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.447   1.383  -0.951  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        2.731   0.287  -1.436  0.00  0.00    +0.004 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
TORSDOF 3