REMARK  Name = BDB063881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.341  -3.210   1.176  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.217  -2.138   0.619  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.275  -1.246   0.067  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.576  -1.544   0.173  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.687  -0.139  -0.509  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.589  -0.316  -0.327  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.911  -1.448   0.328  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.856  -1.762   0.509  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.706  -0.739  -0.318  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.897  -0.747   0.426  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.999  -0.010  -0.045  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.947   0.718  -1.235  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.110   1.394  -1.571  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.021   1.179  -0.650  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.754   0.705  -1.980  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.564   0.172   0.657  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.651  -0.026  -1.518  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.520   0.569  -0.767  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.069   1.410  -1.118  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.854   0.807  -0.222  0.00  0.00    +0.101 C 
ATOM     21  C   LIG    1       -3.865  -0.330  -0.518  0.00  0.00    +0.135 C 
ATOM     22  C   LIG    1       -5.256   0.079  -0.017  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.237   0.448   1.469  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.201   1.526   1.782  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.808   1.157   1.269  0.00  0.00    +0.025 C 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.506  -1.557   0.135  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -4.171  -2.221  -0.128  0.00  0.00    +0.210 HD
ENDBRANCH  21  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4