REMARK  Name = BDB015507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.832   1.419  -0.131  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -2.357   0.254  -0.512  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.512  -0.782  -0.491  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.217  -0.714  -0.144  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.274   0.491   0.204  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.515   1.617   0.203  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.718   0.543   0.562  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.542  -0.395   0.054  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1        3.901  -0.418   0.320  0.00  0.00    -0.311 N 
ATOM     10  C   LIG    1        4.511   0.492   1.186  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1        5.703   0.475   1.488  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        3.610   1.539   1.767  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.240   2.530   2.692  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1        2.303   1.533   1.457  0.00  0.00    +0.020 A 
BRANCH   9  15
ATOM     15  C   LIG    1        4.675  -1.499  -0.246  0.00  0.00    +0.090 C 
ATOM     16  C   LIG    1        4.638  -1.843  -1.716  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        5.872  -1.234  -1.127  0.00  0.00    +0.027 C 
ENDBRANCH   9  15
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  N   LIG    1       -2.785   2.468  -0.222  0.00  0.00    -0.204 N 
ATOM     19  H   LIG    1       -3.643   2.026  -0.561  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.128   3.261   1.229  0.00  0.00    +0.044 S 
ATOM     21  O   LIG    1       -1.887   3.594   1.896  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1       -4.150   2.493   1.903  0.00  0.00    -0.155 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.834   4.797   0.644  0.00  0.00    +0.188 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.261   4.123   0.217  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.967   4.667  -0.367  0.00  0.00    +0.021 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   3  26
ATOM     26  O   LIG    1       -2.065  -1.994  -0.888  0.00  0.00    -0.423 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.220  -3.083  -0.862  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -1.136  -3.861   0.306  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.901  -3.502   1.547  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -0.272  -4.964   0.317  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        0.460  -5.303  -0.822  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        0.337  -4.545  -1.987  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -0.516  -3.435  -2.027  0.00  0.00    -0.008 A 
ATOM     34  C   LIG    1       -0.627  -2.622  -3.283  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 8