REMARK  Name = BDB060848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.270  -1.772   0.599  0.00  0.00    +0.209 A 
ATOM      2  N   LIG    1        0.490  -0.820   0.002  0.00  0.00    -0.201 NA
ATOM      3  C   LIG    1       -0.607  -0.792   0.738  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1       -0.459  -1.716   1.738  0.00  0.00    -0.258 N 
ATOM      5  H   LIG    1       -1.103  -1.959   2.480  0.00  0.00    +0.191 HD
ATOM      6  N   LIG    1        0.720  -2.350   1.669  0.00  0.00    -0.145 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.777   0.064   0.537  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -1.783   0.971  -0.534  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.877   1.808  -0.764  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.985   1.750   0.076  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.998   0.857   1.144  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.902   0.018   1.375  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  S   LIG    1        2.852  -2.234   0.044  0.00  0.00    -0.080 S 
BRANCH  13  14
ATOM     14  C   LIG    1        3.083  -1.123  -1.363  0.00  0.00    +0.104 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.726   0.772  -1.145  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        3.522   0.237  -0.904  0.00  0.00    -0.023 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4