REMARK  Name = BDB015368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.788  -1.014   1.617  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.226  -1.068   0.649  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.412  -2.235   0.119  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.515  -3.163   0.811  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.470  -2.316   1.647  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.918   0.070   0.349  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.929   0.479   1.359  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.956   1.474   0.782  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.733   0.966  -0.381  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.930  -0.039  -1.128  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.414   0.209  -1.039  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.997   0.351   0.085  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        6.019   1.473   0.428  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.506   1.428  -1.033  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        5.921   0.007  -1.117  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  O   LIG    1       -0.898   1.476   2.306  0.00  0.00    -0.150 OA
ATOM     17  S   LIG    1       -1.727   0.319   2.037  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -2.690  -0.119   3.031  0.00  0.00    -0.150 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -2.638   0.655   0.542  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -3.914   0.102   0.363  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -4.668   0.365  -0.794  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.085   1.222  -1.748  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -2.824   1.798  -1.561  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.099   1.521  -0.408  0.00  0.00    +0.029 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -6.048  -0.216  -1.046  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -7.032  -0.411   0.082  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -6.410  -1.606  -0.583  0.00  0.00    +0.009 C 
ENDBRANCH  21  25
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5