REMARK  Name = BDB051205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.998   1.946   0.296  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.695   2.733  -0.744  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -1.163   2.369  -1.937  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.956   1.230  -2.129  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.385   0.901  -3.444  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.046   1.704  -4.531  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.276   2.838  -4.326  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.251   0.496  -0.961  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1       -0.842   3.155  -3.036  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.755   0.845   0.239  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.080  -0.659  -1.064  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -3.877  -0.454  -1.659  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.211  -1.619  -0.113  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -4.266  -2.493  -0.136  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -5.026  -2.532  -0.803  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -4.257  -3.395   0.860  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1       -3.152  -3.091   1.552  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1       -2.786  -3.863   2.762  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -2.462  -1.999   0.977  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1       -0.326   2.388   1.879  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1        3.889   0.593   1.523  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        2.762  -0.252   1.470  0.00  0.00    +0.163 A 
ATOM     23  C   LIG    1        1.480   0.298   1.585  0.00  0.00    +0.064 A 
ATOM     24  C   LIG    1        1.305   1.679   1.730  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        2.425   2.510   1.785  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        3.710   1.971   1.681  0.00  0.00    +0.050 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.270   0.794   1.472  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.111  -0.023   1.409  0.00  0.00    -0.491 OA
ENDBRANCH  21  28
BRANCH  22  29
ATOM     29  O   LIG    1        3.017  -1.593   1.314  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        1.905  -2.453   1.107  0.00  0.00    +0.277 C 
ENDBRANCH  22  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6