REMARK  Name = BDB046031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.193  -1.050   0.769  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.594  -0.479  -0.239  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1       -0.893  -0.455  -1.426  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -1.128   0.286  -2.079  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.492  -0.898  -1.482  0.00  0.00    +0.184 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.394   0.332  -1.489  0.00  0.00    +0.180 C 
ATOM      7  O   LIG    1        0.977   1.431  -1.859  0.00  0.00    -0.290 OA
BRANCH   6   8
ATOM      8  C   LIG    1        2.823   0.181  -1.089  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.433  -1.061  -0.925  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.785  -1.138  -0.553  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        5.572   0.004  -0.335  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        4.932   1.239  -0.514  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        3.584   1.334  -0.886  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  N   LIG    1        6.893  -0.084   0.029  0.00  0.00    -0.330 N 
ATOM     15  C   LIG    1        7.647  -1.333   0.116  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        9.095  -0.878   0.277  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        8.959   0.429   1.038  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        7.715   1.061   0.419  0.00  0.00    +0.105 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -2.930   0.223  -0.326  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.619   0.264   1.036  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.973   0.836   0.949  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -5.042   2.228   0.991  0.00  0.00    +0.330 A 
ATOM     23  O   LIG    1       -4.067   2.966   1.115  0.00  0.00    -0.246 OA
ATOM     24  N   LIG    1       -6.284   2.770   0.870  0.00  0.00    -0.275 N 
ATOM     25  H   LIG    1       -6.341   3.775   0.902  0.00  0.00    +0.173 HD
ATOM     26  C   LIG    1       -7.427   2.090   0.602  0.00  0.00    +0.258 A 
ATOM     27  O   LIG    1       -8.498   2.669   0.454  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.311   0.614   0.500  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -8.606  -0.061   0.144  0.00  0.00    +0.111 C 
ATOM     30  S   LIG    1       -8.389  -1.736  -0.513  0.00  0.00    -0.155 S 
ATOM     31  C   LIG    1       -7.217  -2.309   0.730  0.00  0.00    +0.075 C 
ATOM     32  C   LIG    1       -5.938  -1.473   0.696  0.00  0.00    +0.064 C 
ATOM     33  C   LIG    1       -6.106   0.040   0.713  0.00  0.00    +0.033 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7