REMARK  Name = BDB028640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.740  -0.933  -0.263  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        3.065  -0.366   0.989  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.167   0.512   1.633  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.964   0.764   0.986  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1        0.605   0.217  -0.230  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.688   0.753  -0.474  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.074   1.562   0.517  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.035   1.570   1.431  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.506  -0.651  -0.877  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.470  -2.258  -2.115  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.695  -1.756  -0.803  0.00  0.00    -0.495 OA
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  N   LIG    1       -1.456   0.457  -1.591  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -1.189  -0.314  -2.194  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -3.069   0.880  -1.760  0.00  0.00    +0.081 S 
ATOM     15  O   LIG    1       -3.548   0.125  -2.904  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -3.129   2.326  -1.766  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.863   0.202  -0.332  0.00  0.00    +0.191 A 
ATOM     18  C   LIG    1       -4.722   0.969   0.461  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -5.324   0.403   1.592  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.046  -0.914   1.955  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.197  -1.685   1.165  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.631  -1.139   0.007  0.00  0.00    +0.150 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -5.099   2.233   0.102  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.508   3.214   0.957  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
BRANCH  22  25
ATOM     25  O   LIG    1       -2.802  -1.926  -0.754  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -3.550  -2.935  -1.441  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   2  27
ATOM     27  C   LIG    1        4.393  -0.650   1.659  0.00  0.00    +0.182 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.352   0.416   1.403  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.514   1.410   2.304  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.459   2.179   1.757  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.914   1.678   0.524  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.184   0.530   0.324  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8