REMARK  Name = BDB002133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.620  -0.689   2.701  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.799  -1.690   2.699  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.372   0.136   1.808  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.716  -0.312   0.504  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -2.429   0.574  -0.344  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.777   0.150  -1.644  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -2.433  -1.116  -2.115  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.733  -1.987  -1.293  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.768   1.858   0.131  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1       -2.420   2.280   1.411  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -1.381  -1.592  -0.002  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -1.720   1.417   2.246  0.00  0.00    +0.029 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -3.457   2.715  -0.690  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -3.623   3.545  -0.214  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.997  -0.314   3.008  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        1.086   1.021   3.560  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.538  -1.453   3.722  0.00  0.00    -0.150 OA
BRANCH  15  22
ATOM     18  C   LIG    1        3.554  -0.240  -2.499  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        2.904  -0.264  -1.147  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        2.372   0.912  -0.599  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.792   0.901   0.670  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        1.736  -0.294   1.392  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        2.296  -1.465   0.874  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        2.878  -1.446  -0.395  0.00  0.00    +0.005 A 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 4