REMARK  Name = BDB031645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.920   0.324  -2.632  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -1.393   0.691  -3.459  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.737  -0.383  -1.706  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.723  -0.048  -0.349  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.466  -0.741   0.613  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.180  -0.116   1.868  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.307   0.927   1.640  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -3.278  -1.831   0.196  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.114  -2.648   1.145  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.293  -2.158  -1.177  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -1.048   0.965   0.298  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -0.453   1.634  -0.173  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -2.538  -1.448  -2.109  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -2.688  -0.469   3.157  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.092  -0.753   4.208  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.530  -0.420  -3.115  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        0.296  -1.830  -3.337  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.076   0.417  -4.161  0.00  0.00    -0.150 OA
BRANCH  16  21
ATOM     19  C   LIG    1        2.984   1.152  -0.307  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        2.189   1.000  -1.449  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        1.555  -0.224  -1.680  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        1.738  -1.302  -0.808  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        2.557  -1.153   0.311  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.185   0.070   0.558  0.00  0.00    +0.013 A 
BRANCH  19  28
ATOM     25  C   LIG    1        2.867   2.672   2.322  0.00  0.00    +0.128 C 
ATOM     26  N   LIG    1        3.659   3.025   1.166  0.00  0.00    -0.314 N 
ATOM     27  H   LIG    1        4.158   3.908   1.187  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1        3.648   2.457  -0.083  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        4.167   3.041  -1.028  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5