REMARK  Name = BDB015409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.131   2.108   2.203  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.688   0.784   2.364  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        1.292   0.122   3.299  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        2.217   1.072   3.961  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1        2.288   2.320   3.085  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -0.287   0.308   1.538  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -1.653   0.839   1.756  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -2.560   0.485   0.560  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1       -2.646  -0.982   0.346  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1       -1.274  -1.517   0.172  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -0.339  -1.157   1.346  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1       -3.437  -1.252  -0.865  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -3.807  -2.759  -0.932  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -5.221  -2.306  -1.357  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -4.943  -1.000  -0.583  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1        1.766   4.286   1.067  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1        1.099   3.027   0.794  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -0.226   3.028   0.207  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.159   2.110  -0.308  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        1.603   1.150  -1.156  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.427   0.439  -2.043  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.814   0.701  -2.096  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1        4.638   0.041  -2.927  0.00  0.00    -0.255 NA
ATOM     24  C   LIG    1        4.103  -0.900  -3.736  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        2.759  -1.223  -3.761  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.331   1.684  -1.261  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        1.909  -0.541  -2.900  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        3.521   2.400  -0.374  0.00  0.00    +0.031 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4