REMARK  Name = BDB033574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.696  -0.085  -1.059  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.557  -0.230  -0.410  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.072   1.054  -0.392  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.309   1.401   0.140  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.060   0.342   0.661  0.00  0.00    +0.137 A 
ATOM      6  C   LIG    1        2.572  -0.968   0.701  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        0.176   1.903  -0.960  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.304  -1.266   0.182  0.00  0.00    +0.145 A 
ATOM      9  N   LIG    1       -0.940   1.192  -1.365  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.563  -1.139  -1.318  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.313  -2.071  -0.999  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.209  -0.945  -1.561  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.378  -0.173  -2.773  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.785  -2.273  -1.452  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.373  -0.479   1.140  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.751  -0.039  -0.138  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.550   1.102  -0.258  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.945   1.804   0.888  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.522   1.392   2.150  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.734   0.252   2.277  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.396  -2.682   1.811  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.599  -1.600   1.312  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.068   1.496  -1.460  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.442   2.692  -1.929  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  25
ATOM     25  O   LIG    1        4.291   0.598   1.220  0.00  0.00    -0.438 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.357   0.699   0.329  0.00  0.00    +0.220 A 
ATOM     27  N   LIG    1        5.163   0.484  -0.993  0.00  0.00    -0.221 NA
ATOM     28  C   LIG    1        6.248   0.592  -1.789  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        7.516   0.906  -1.327  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.686   1.122   0.037  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        6.588   1.016   0.884  0.00  0.00    +0.067 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
BRANCH   8  32
ATOM     32  O   LIG    1        0.797  -2.541   0.204  0.00  0.00    -0.433 OA
BRANCH  32  33
ATOM     33  C   LIG    1        0.618  -3.003   1.539  0.00  0.00    +0.541 C 
ATOM     34  F   LIG    1       -0.283  -4.016   1.493  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        1.784  -3.539   1.976  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH   8  32
TORSDOF 9