REMARK  Name = BDB028635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.246  -0.369  -2.339  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1       -0.014   0.158  -1.946  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -0.804  -0.972  -1.809  0.00  0.00    +0.169 A 
ATOM      4  C   LIG    1       -2.138  -0.963  -1.407  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -2.715   0.291  -1.138  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1       -1.950   1.458  -1.288  0.00  0.00    +0.006 A 
ATOM      7  O   LIG    1       -0.082  -2.075  -2.132  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -0.606   1.408  -1.694  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        1.198  -1.697  -2.493  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        2.454   0.276  -2.590  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        3.196  -0.367  -2.864  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        3.085   1.460  -1.581  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        4.518   1.478  -1.784  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.311   2.671  -1.774  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        3.231  -0.397   0.464  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.783   0.872   0.070  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        2.077   1.698   0.956  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        1.807   1.256   2.248  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.245  -0.002   2.652  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.954  -0.823   1.768  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1        4.202  -2.495  -0.134  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.912  -1.141  -0.460  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  C   LIG    1       -4.155   0.373  -0.686  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.309  -0.083   0.689  0.00  0.00    -0.267 N 
ATOM     25  N   LIG    1       -4.745  -1.335   0.943  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1       -4.781  -1.392   2.277  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -4.383  -0.183   2.877  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -4.088   0.649   1.824  0.00  0.00    +0.108 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 6