REMARK  Name = BDB036550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684  -0.347  -1.703  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        1.513   0.719  -1.267  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.927   1.851  -0.686  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.460   1.860  -0.562  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -1.300   0.836  -0.963  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -2.593   1.311  -0.609  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -2.535   2.539  -0.079  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -1.196   2.873  -0.037  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.715  -0.294  -1.563  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.594  -2.539  -2.660  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        1.364  -1.407  -2.268  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        2.902   0.585  -1.439  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1        3.185  -0.276  -1.893  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.007   1.374  -1.156  0.00  0.00    +0.220 A 
ATOM     15  N   LIG    1        5.191   0.853  -1.518  0.00  0.00    -0.222 NA
ATOM     16  C   LIG    1        6.295   1.585  -1.269  0.00  0.00    +0.119 A 
ATOM     17  C   LIG    1        6.273   2.826  -0.678  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        7.509   3.599  -0.381  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        5.018   3.265  -0.328  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1        3.887   2.569  -0.557  0.00  0.00    -0.222 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -3.847   0.722  -0.725  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -4.601   1.282  -0.329  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -4.156  -0.913  -0.528  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -5.559  -1.035  -0.185  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.651  -1.582  -1.708  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.232  -1.396   0.911  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -2.388  -2.513   0.885  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -1.616  -2.836   2.003  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -1.723  -2.082   3.166  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -2.595  -0.994   3.214  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -3.352  -0.635   2.091  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.214  -3.296  -0.222  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.116  -4.405  -0.200  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.229   0.417   2.081  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.134   1.369   3.136  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8