REMARK  Name = BDB025450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.911   0.840   0.345  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -0.586   0.380  -0.147  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1       -0.647  -1.088  -0.388  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.809  -1.843  -0.379  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.390  -3.168  -0.485  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.074  -3.265  -0.547  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.162  -1.253  -0.211  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1        0.404  -1.980  -0.591  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        1.794  -1.849  -0.835  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        2.545  -2.774  -0.516  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.095   0.272  -0.351  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.326  -0.619  -1.534  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.541   0.591  -0.653  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        2.279   1.876  -1.162  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.398   2.979  -0.309  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        2.868   2.828   0.996  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.215   1.567   1.468  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1        1.748   2.057  -2.451  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        1.950   2.992  -2.805  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        2.073   1.008  -3.408  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        3.057   0.451   0.648  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.612  -0.332  -2.861  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  23
ATOM     23  S   LIG    1       -2.038   1.425   1.911  0.00  0.00    +0.032 S 
ATOM     24  O   LIG    1       -0.918   2.312   2.141  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1       -3.399   1.875   2.111  0.00  0.00    -0.158 OA
BRANCH  23  27
ATOM     26  C   LIG    1       -1.819   0.293   4.391  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -1.788  -0.042   2.912  0.00  0.00    +0.182 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  N   LIG    1       -2.203  -4.228  -0.484  0.00  0.00    -0.341 N 
ATOM     29  H   LIG    1       -3.118  -4.178  -0.056  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.748  -5.125  -0.340  0.00  0.00    +0.144 HD
ENDBRANCH   5  28
TORSDOF 4