REMARK  Name = BDB032613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.530  -1.556  -2.160  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.396  -2.533  -2.396  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.482  -0.806  -1.587  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.353   0.454  -1.174  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.580   0.805  -0.642  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.437  -0.250  -0.732  0.00  0.00    +0.173 A 
ATOM      7  C   LIG    1        1.779  -1.297  -1.334  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.792  -0.041  -0.240  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        4.072   0.704   0.919  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        5.387   0.857   1.372  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.443   0.298   0.655  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.186  -0.429  -0.504  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.870  -0.602  -0.945  0.00  0.00    +0.015 A 
BRANCH   9  14
ATOM     14  O   LIG    1        3.042   1.200   1.680  0.00  0.00    -0.494 OA
ATOM     15  C   LIG    1        3.024   2.628   1.653  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -2.013  -0.937  -2.632  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -2.767  -2.092  -3.082  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.753   0.171  -3.526  0.00  0.00    -0.150 OA
BRANCH  16  21
ATOM     19  C   LIG    1       -3.253  -0.879   1.222  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -2.692  -1.257  -0.005  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -2.763  -0.403  -1.119  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.411   0.827  -1.011  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.998   1.194   0.204  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -3.912   0.352   1.315  0.00  0.00    +0.007 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.358  -2.767   2.449  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -3.184  -1.801   2.413  0.00  0.00    +0.032 C 
ENDBRANCH  19  26
BRANCH  22  27
ATOM     27  O   LIG    1       -3.591   1.646  -2.089  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.729   2.784  -2.013  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 7