REMARK  Name = BDB017641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612   1.642   0.788  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.042   1.193   0.567  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.717   0.458   1.549  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -4.043   0.061   1.344  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.736   0.400   0.172  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -6.142  -0.042   0.023  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -6.853   0.332  -1.113  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -6.662   1.282  -1.419  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -8.211  -0.132  -1.361  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -8.955  -0.312  -0.044  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -8.156  -1.200   0.917  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.711  -0.786   0.993  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.956  -1.173   2.214  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.455  -1.872   3.092  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -4.051   1.128  -0.809  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.678  -0.705   2.326  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.186  -0.976   3.166  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.724   1.526  -0.611  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.006   0.084  -0.253  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        2.771   1.394  -0.869  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.550   2.073  -0.210  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.284   1.315  -0.331  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        0.537  -0.137  -0.465  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.831  -0.661   0.201  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        6.502  -0.469  -0.497  0.00  0.00    +0.157 A 
ATOM     26  N   LIG    1        5.310   0.225  -0.702  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1        4.275  -0.401  -0.184  0.00  0.00    +0.162 A 
ATOM     28  S   LIG    1        4.699  -1.883   0.608  0.00  0.00    -0.060 S 
ATOM     29  C   LIG    1        6.341  -1.648   0.204  0.00  0.00    +0.083 A 
BRANCH  25  30
ATOM     30  C   LIG    1        7.781   0.048  -0.997  0.00  0.00    +0.358 C 
ATOM     31  O   LIG    1        7.899   1.105  -1.605  0.00  0.00    -0.243 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.830  -0.783  -0.702  0.00  0.00    -0.460 OA
BRANCH  32  34
ATOM     33  C   LIG    1       10.756   0.573  -0.139  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1       10.118  -0.349  -1.161  0.00  0.00    +0.229 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6