REMARK  Name = BDB046564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.041  -1.380  -0.460  0.00  0.00    -0.484 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.273  -1.023  -0.576  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        2.105  -1.529   0.425  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.470  -1.238   0.434  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        4.028  -0.434  -0.567  0.00  0.00    -0.046 A 
ATOM      6  C   LIG    1        3.192   0.070  -1.571  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.823  -0.223  -1.577  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        5.505  -0.107  -0.550  0.00  0.00    +0.059 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.825   1.078   0.362  0.00  0.00    +0.146 C 
ATOM     10  C   LIG    1        5.760   2.409  -0.368  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        4.866   2.770  -1.121  0.00  0.00    -0.274 OA
ATOM     12  N   LIG    1        6.838   3.195  -0.089  0.00  0.00    -0.246 N 
ATOM     13  H   LIG    1        6.942   4.088  -0.543  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        7.921   2.614   0.474  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1        9.022   3.124   0.584  0.00  0.00    -0.263 OA
ATOM     16  S   LIG    1        7.548   0.987   0.976  0.00  0.00    -0.054 S 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.943  -0.847  -1.428  0.00  0.00    +0.303 C 
BRANCH  17  26
ATOM     18  N   LIG    1       -2.986  -0.959   0.091  0.00  0.00    -0.325 N 
ATOM     19  C   LIG    1       -4.200  -1.612   0.100  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.220  -2.313  -1.101  0.00  0.00    +0.089 A 
ATOM     21  C   LIG    1       -5.339  -3.093  -1.429  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -6.411  -3.147  -0.531  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.369  -2.440   0.671  0.00  0.00    +0.002 A 
ATOM     24  N   LIG    1       -3.063  -2.113  -1.806  0.00  0.00    -0.229 NA
ATOM     25  C   LIG    1       -5.261  -1.655   1.014  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -2.315  -1.319  -1.061  0.00  0.00    +0.149 A 
BRANCH  18  27
ATOM     27  C   LIG    1       -2.509  -0.084   1.148  0.00  0.00    +0.126 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -2.814   2.138  -0.060  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.181   1.302   1.167  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -2.784   2.051   2.441  0.00  0.00    +0.009 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 7