REMARK  Name = BDB035967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.014  -1.294  -2.863  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.718  -0.326  -2.112  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -2.922  -0.199  -2.783  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -3.971   0.643  -2.389  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.785   1.426  -1.229  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.561   1.339  -0.562  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.112   2.006   0.689  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -0.614   1.729   0.600  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.402   0.553  -0.211  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -2.911  -1.003  -3.880  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1       -1.545   0.485  -0.993  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -1.694  -1.663  -3.955  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.263  -1.800  -2.644  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1        0.595  -2.349  -3.438  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1        0.560  -2.720  -1.257  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -0.570  -2.627  -0.354  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.022  -4.018  -1.707  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1        3.124  -1.688  -1.239  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        1.943  -1.890  -0.516  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1        1.833  -1.468   0.817  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        2.901  -0.821   1.449  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        2.731  -0.343   2.870  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        4.054  -0.000   3.552  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.915   0.862   2.639  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.268   0.099   1.363  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1        4.079  -0.580   0.725  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1        4.184  -1.027  -0.606  0.00  0.00    +0.051 A 
BRANCH  18  29
ATOM     28  C   LIG    1        4.434  -2.198  -3.167  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        3.162  -2.130  -2.533  0.00  0.00    -0.493 OA
ENDBRANCH  18  29
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  30
ATOM     30  C   LIG    1       -4.891   2.337  -0.751  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.462   1.895   0.514  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1       -5.318   2.655   1.622  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -5.977   1.972   2.561  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -6.555   0.792   2.061  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -6.214   0.773   0.729  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6