REMARK  Name = BDB060844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.208  -0.377  -0.445  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1        1.774   0.569   0.483  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.404   0.774   0.691  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.552   0.039  -0.025  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.106  -0.908  -0.955  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.262  -1.112  -1.161  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.981   0.251   0.189  0.00  0.00    +0.182 A 
ATOM      8  N   LIG    1       -2.942  -0.462  -0.505  0.00  0.00    -0.201 NA
ATOM      9  C   LIG    1       -4.062   0.016  -0.032  0.00  0.00    +0.182 A 
ATOM     10  N   LIG    1       -3.810   0.967   0.899  0.00  0.00    -0.253 N 
ATOM     11  H   LIG    1       -4.466   1.516   1.440  0.00  0.00    +0.191 HD
ATOM     12  N   LIG    1       -2.488   1.141   1.063  0.00  0.00    -0.152 NA
BRANCH   9  13
ATOM     13  S   LIG    1       -5.659  -0.435  -0.466  0.00  0.00    -0.104 S 
ATOM     14  H   LIG    1       -5.316  -1.361  -1.374  0.00  0.00    +0.110 HD
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  C   LIG    1        4.511   0.049  -0.039  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.509  -0.674  -0.743  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
TORSDOF 3