REMARK  Name = BDB001688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.103  -1.278   0.180  0.00  0.00    -0.306 N 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.749  -2.644  -1.861  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1       -1.930  -2.396  -0.361  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -1.834  -3.685   0.458  0.00  0.00    +0.028 C 
ENDBRANCH   1   3
BRANCH   1   5
ATOM      5  C   LIG    1        0.303  -1.161   0.052  0.00  0.00    +0.134 C 
ATOM      6  S   LIG    1        1.341  -2.420  -0.328  0.00  0.00    -0.019 S 
BRANCH   5   7
ATOM      7  N   LIG    1        0.736   0.137   0.288  0.00  0.00    -0.324 N 
ATOM      8  H   LIG    1        0.013   0.830   0.159  0.00  0.00    +0.148 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.083   0.724   0.298  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1        3.015   0.156   1.371  0.00  0.00    +0.022 C 
ATOM     11  C   LIG    1        4.296   0.987   1.497  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1        4.767   1.597   0.174  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1        4.262   0.821  -1.036  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        2.733   0.797  -1.094  0.00  0.00    +0.022 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  C   LIG    1       -1.829  -0.404   1.123  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.659   0.689   0.479  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -3.597   1.372   1.270  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.370   2.405   0.735  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.212   2.774  -0.598  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.281   2.113  -1.395  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.507   1.080  -0.860  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6