REMARK  Name = BDB065403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.085  -1.653  -1.195  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -2.585  -1.572   0.081  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -3.227  -1.683   1.116  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.113  -1.341   0.041  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -0.420  -1.187   1.178  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -0.580  -1.274  -1.592  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.195  -1.533  -2.225  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.429  -1.602  -3.421  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.983  -0.950   1.270  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        1.556   0.110   2.503  0.00  0.00    -0.052 S 
ATOM     11  C   LIG    1        3.196  -0.072   2.046  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1        3.310  -0.958   0.993  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.050  -1.462   0.554  0.00  0.00    +0.019 A 
BRANCH  11  14
ATOM     14  O   LIG    1        4.125   0.603   2.738  0.00  0.00    -0.449 OA
BRANCH  14  15
ATOM     15  C   LIG    1        5.426   0.626   2.303  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        6.385  -0.067   3.042  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        7.724  -0.031   2.646  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        8.089   0.715   1.515  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        7.125   1.426   0.784  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        5.789   1.384   1.187  0.00  0.00    +0.048 A 
BRANCH  18  21
ATOM     21  N   LIG    1        9.496   0.755   1.094  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        9.782   1.445   0.106  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       10.312   0.094   1.751  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1       -4.499  -1.837  -1.445  0.00  0.00    +0.152 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -7.189   3.317  -1.874  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -6.524   1.976  -1.766  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -5.987   1.361  -2.901  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -5.342   0.126  -2.800  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.219  -0.513  -1.559  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -5.735   0.117  -0.419  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.380   1.352  -0.522  0.00  0.00    +0.003 A 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 6