REMARK  Name = BDB045367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.011  -0.086  -1.263  0.00  0.00    -0.046 S 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -4.806   0.809  -2.436  0.00  0.00    -0.165 OA
ATOM      3  S   LIG    1       -3.951   1.414  -1.436  0.00  0.00    +0.020 S 
ATOM      4  C   LIG    1       -3.815   0.295  -0.103  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -2.514  -0.205  -0.032  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.219  -1.124   0.968  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.229  -1.510   1.862  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.527  -0.983   1.760  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.656   0.366  -1.081  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -4.836  -0.064   0.761  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.292   1.229  -1.887  0.00  0.00    +0.155 C 
ATOM     12  O   LIG    1       -4.188   2.735  -0.896  0.00  0.00    -0.165 OA
ENDBRANCH   1   9
BRANCH   1  13
ATOM     13  C   LIG    1        0.707   1.012  -0.126  0.00  0.00    +0.219 A 
ATOM     14  N   LIG    1        2.039   1.030   0.282  0.00  0.00    -0.187 N 
ATOM     15  N   LIG    1        2.200   2.160   1.029  0.00  0.00    -0.038 NA
ATOM     16  N   LIG    1        1.012   2.732   1.120  0.00  0.00    -0.022 NA
ATOM     17  N   LIG    1        0.081   2.040   0.408  0.00  0.00    -0.101 NA
BRANCH  14  18
ATOM     18  C   LIG    1        3.149   0.157   0.085  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        3.021  -1.139  -0.430  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.150  -1.950  -0.599  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        5.414  -1.483  -0.249  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.555  -0.205   0.279  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.432   0.609   0.450  0.00  0.00    +0.028 A 
ENDBRANCH  14  18
ENDBRANCH   1  13
TORSDOF 3