REMARK  Name = BDB061024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.668   0.164   0.863  0.00  0.00    +0.227 C 
ATOM      2  C   LIG    1       -1.376   0.983  -0.269  0.00  0.00    +0.209 C 
ATOM      3  C   LIG    1       -2.835   0.576  -0.123  0.00  0.00    +0.180 C 
ATOM      4  C   LIG    1       -2.731  -0.881   0.286  0.00  0.00    +0.178 C 
ATOM      5  O   LIG    1       -1.575  -0.958   1.136  0.00  0.00    -0.334 OA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        0.611  -0.447   0.506  0.00  0.00    -0.274 N 
ATOM      7  C   LIG    1        1.546   0.002  -0.389  0.00  0.00    +0.168 A 
ATOM      8  C   LIG    1        2.561  -0.942  -0.361  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        3.659  -0.719  -1.210  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1        3.671   0.399  -1.970  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        2.614   1.235  -1.896  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1        2.278  -1.940   0.544  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1        1.510   1.116  -1.134  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        1.111  -1.608   1.053  0.00  0.00    +0.204 A 
BRANCH   9  15
ATOM     15  N   LIG    1        4.745  -1.580  -1.290  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        4.842  -2.185  -0.482  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        5.575  -1.118  -1.638  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   1   6
BRANCH   1  19
ATOM     18  C   LIG    1        0.865   2.189   2.134  0.00  0.00    +0.089 C 
ATOM     19  S   LIG    1       -0.544   1.100   2.478  0.00  0.00    -0.105 S 
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  O   LIG    1       -1.257   2.407  -0.216  0.00  0.00    -0.383 OA
ATOM     21  H   LIG    1       -2.013   2.725   0.321  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -3.441   1.367   0.918  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -3.096   1.068   1.783  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.558  -1.845  -0.892  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.668  -1.785  -1.772  0.00  0.00    -0.392 OA
ATOM     26  H   LIG    1       -4.401  -2.284  -1.368  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 7