REMARK  Name = BDB014599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.394  -0.934  -1.099  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.098   0.068  -1.165  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.611   1.322  -1.470  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        1.183   2.120  -1.221  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.823   1.555  -1.579  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.463   1.743  -0.193  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.885   2.910   0.427  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.157   3.686  -0.093  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.000   1.913  -0.258  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.729   0.879  -1.008  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.625  -0.466  -0.407  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.473  -0.675   0.830  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.621   0.104   1.058  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.413  -0.139   2.188  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.079  -1.162   3.076  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.951  -1.946   2.843  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.965   1.241   0.128  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.154  -1.707   1.724  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.155   1.214  -1.178  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.588   0.062  -0.912  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.105  -1.353  -0.678  0.00  0.00    +0.072 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.577  -1.342  -0.405  0.00  0.00    +0.080 A 
ATOM     23  S   LIG    1        5.182  -1.816   1.130  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        6.790  -1.517   0.591  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        6.748  -1.071  -0.732  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        7.961  -0.764  -1.381  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        9.173  -0.909  -0.698  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        9.190  -1.355   0.620  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.001  -1.666   1.287  0.00  0.00    +0.017 A 
ATOM     30  N   LIG    1        5.482  -0.973  -1.285  0.00  0.00    -0.244 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8