REMARK  Name = BDB033478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.972  -0.226  -0.247  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1       -3.973  -0.371  -0.396  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.655  -0.089   1.141  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.695   0.839   1.560  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -1.307   0.965   2.897  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.319   1.990   2.947  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -0.138   2.466   1.666  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -1.911   0.122   3.855  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.870  -0.811   3.446  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1       -0.977   1.768   0.839  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -1.071   1.906  -0.158  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.235  -0.918   2.106  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        0.373   2.464   4.105  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        0.929   2.856   5.045  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -2.183  -1.506  -1.056  0.00  0.00    +0.108 S 
ATOM     16  O   LIG    1       -2.435  -2.739  -0.344  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1       -2.534  -1.367  -2.455  0.00  0.00    -0.147 OA
BRANCH  15  21
ATOM     18  C   LIG    1        1.723  -0.777  -1.317  0.00  0.00    +0.088 A 
ATOM     19  N   LIG    1        1.601  -1.100  -0.026  0.00  0.00    -0.081 NA
ATOM     20  O   LIG    1        0.268  -1.402   0.166  0.00  0.00    -0.334 OA
ATOM     21  C   LIG    1       -0.433  -1.238  -1.000  0.00  0.00    +0.292 A 
ATOM     22  C   LIG    1        0.473  -0.846  -1.970  0.00  0.00    +0.097 A 
BRANCH  18  24
ATOM     23  C   LIG    1        3.485  -1.336  -3.011  0.00  0.00    +0.014 C 
ATOM     24  C   LIG    1        3.063  -0.401  -1.876  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1        3.084   1.055  -2.345  0.00  0.00    +0.014 C 
ENDBRANCH  18  24
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 5