REMARK  Name = BDB013029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.038   0.364  -0.817  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.110   1.323  -1.304  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.218   0.969  -1.303  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.879   2.037  -1.836  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.025   2.994  -2.121  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.688  -0.266  -0.835  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.173  -1.145  -0.396  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.232   2.544  -1.785  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.513  -0.812  -0.408  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.622   0.529   0.408  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        4.239   0.317   0.395  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.505   0.562  -0.775  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        4.184   1.027  -1.912  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.569   1.218  -1.896  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.295   0.961  -0.736  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.583   1.791   2.695  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        6.541   0.209   1.894  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.894  -0.140   1.504  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        5.749  -0.691   2.712  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.042  -0.518  -0.851  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.692   0.257  -0.910  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.597  -1.712  -0.245  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.096  -1.679  -0.381  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -4.920  -1.169   0.617  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.586  -0.667   1.972  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.926  -0.030   2.341  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.970  -0.626   1.539  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.298  -1.136   0.459  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.918  -1.597  -0.684  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -6.112  -2.093  -1.708  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.715  -2.128  -1.561  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5