REMARK  Name = BDB027175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.588  -0.866  -1.842  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1       -1.822  -0.178  -3.091  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.817  -2.286  -1.691  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.067  -0.494  -1.323  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        0.869  -1.493  -0.769  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.173  -1.185  -0.373  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.694   0.113  -0.529  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        1.867   1.097  -1.099  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.561   0.799  -1.498  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        4.070   0.430  -0.114  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        4.519   0.151   1.183  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        5.824   0.470   1.527  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        6.706   1.038   0.680  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        6.263   1.299  -0.567  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.977   1.020  -1.003  0.00  0.00    +0.028 A 
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1       -2.495  -0.073  -0.687  0.00  0.00    -0.185 NA
ATOM     17  H   LIG    1       -3.156   0.620  -1.040  0.00  0.00    +0.148 HD
BRANCH  16  20
ATOM     18  N   LIG    1       -4.482   0.706   1.471  0.00  0.00    -0.268 N 
ATOM     19  C   LIG    1       -3.031   0.415   1.667  0.00  0.00    +0.136 C 
ATOM     20  C   LIG    1       -2.714  -0.676   0.638  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -3.995  -1.495   0.647  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -5.103  -0.455   0.772  0.00  0.00    +0.118 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -5.754   2.395   2.795  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -5.166   1.613   2.176  0.00  0.00    +0.169 C 
ENDBRANCH  18  24
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5