REMARK  Name = BDB001108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.030  -3.060  -0.837  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.425  -1.748  -0.504  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.048  -0.547  -0.128  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.032   0.358   0.066  0.00  0.00    +0.140 A 
ATOM      5  N   LIG    1        0.228   1.671   0.447  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1       -0.527   2.327   0.587  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        1.512   2.138   0.655  0.00  0.00    +0.255 A 
ATOM      8  C   LIG    1        2.623   1.168   0.449  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        4.037   1.564   0.644  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        5.001   0.050   0.276  0.00  0.00    -0.151 S 
ATOM     11  C   LIG    1        3.544  -0.992  -0.105  0.00  0.00    +0.105 C 
ATOM     12  O   LIG    1        1.734   3.295   0.995  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -1.140  -0.310  -0.192  0.00  0.00    -0.242 N 
ATOM     14  C   LIG    1        2.373  -0.098   0.077  0.00  0.00    -0.016 A 
ATOM     15  N   LIG    1       -0.907  -1.603  -0.542  0.00  0.00    -0.174 NA
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1       -2.528   0.189  -0.134  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -2.864   0.660   1.294  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.720   1.344  -1.136  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -3.551  -0.913  -0.505  0.00  0.00    +0.036 C 
ENDBRANCH  13  16
TORSDOF 1