REMARK  Name = BDB022140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.798   0.241   0.623  0.00  0.00    -0.202 N 
ATOM      2  C   LIG    1       -0.555  -0.063   0.447  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -1.071  -0.945  -0.633  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.238   0.582   1.473  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.226   1.149   2.266  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1        0.991   0.979   1.758  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.191  -1.264  -2.639  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        4.063  -0.827  -1.765  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1        4.196  -0.054  -0.623  0.00  0.00    +0.086 A 
ATOM     10  N   LIG    1        3.150   0.279   0.165  0.00  0.00    -0.210 NA
ATOM     11  C   LIG    1        1.921  -0.124  -0.215  0.00  0.00    +0.252 A 
ATOM     12  N   LIG    1        1.689  -0.837  -1.337  0.00  0.00    -0.219 NA
ATOM     13  C   LIG    1        2.763  -1.171  -2.077  0.00  0.00    +0.120 A 
BRANCH   9  14
ATOM     14  C   LIG    1        5.469   0.458  -0.105  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1        6.473   1.464  -1.067  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1        7.625   1.631   0.185  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        7.245   0.966   1.329  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.995   0.303   1.165  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -2.662   0.597   1.763  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1       -3.538   1.017   0.755  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -3.122   1.760  -0.431  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -3.057   0.255   2.875  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.979   0.891   0.987  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.616  -0.431   0.510  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.509  -0.632  -1.000  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.080  -1.655   1.250  0.00  0.00    +0.009 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 5