REMARK  Name = BDB002845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.488   0.348  -0.144  0.00  0.00    -0.207 N 
ATOM      2  H   LIG    1       -1.393   1.080   0.549  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.361  -0.181  -0.759  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.353  -1.087  -1.585  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.756   1.547   1.022  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1       -3.787   0.340   0.103  0.00  0.00    +0.070 C 
ATOM      7  N   LIG    1       -2.714  -0.175  -0.428  0.00  0.00    -0.184 NA
BRANCH   6   8
ATOM      8  C   LIG    1       -5.083  -0.281  -0.167  0.00  0.00    +0.035 A 
ATOM      9  S   LIG    1       -5.256  -1.384  -1.476  0.00  0.00    -0.095 S 
ATOM     10  C   LIG    1       -6.913  -1.632  -1.151  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -7.340  -0.903  -0.066  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -6.287  -0.126   0.501  0.00  0.00    +0.017 A 
ENDBRANCH   6   8
ENDBRANCH   1   7
BRANCH   3  13
ATOM     13  C   LIG    1        0.907   0.481  -0.275  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.104   0.010  -1.087  0.00  0.00    +0.155 C 
BRANCH  14  15
ATOM     15  N   LIG    1        3.340   0.560  -0.574  0.00  0.00    -0.243 N 
ATOM     16  C   LIG    1        4.342  -0.081   0.104  0.00  0.00    +0.089 A 
ATOM     17  C   LIG    1        5.238   0.948   0.374  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        6.421   0.671   1.073  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        6.663  -0.647   1.481  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.747  -1.664   1.199  0.00  0.00    +0.002 A 
ATOM     21  N   LIG    1        4.753   2.126  -0.128  0.00  0.00    -0.129 NA
ATOM     22  C   LIG    1        4.561  -1.404   0.502  0.00  0.00    +0.029 A 
ATOM     23  N   LIG    1        3.586   1.879  -0.707  0.00  0.00    -0.065 NA
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 5