REMARK  Name = BDB059843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394  -1.559   0.613  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -1.560  -1.481   1.417  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.663  -0.715   0.950  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1       -3.822  -0.650   1.762  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -3.905  -1.310   2.987  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.827  -2.052   3.442  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.558  -0.039  -0.298  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.387  -0.138  -1.062  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -1.671  -2.135   2.667  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.311  -0.891  -0.608  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.757  -2.298   1.027  0.00  0.00    -0.216 N 
ATOM     12  H   LIG    1        0.613  -3.250   1.362  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1        1.941  -1.495   1.927  0.00  0.00    +0.072 S 
ATOM     14  O   LIG    1        2.767  -2.532   2.509  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1        1.322  -0.483   2.754  0.00  0.00    -0.150 OA
BRANCH  13  19
ATOM     16  C   LIG    1        4.433   0.561  -1.302  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        4.542  -0.818  -1.092  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.784  -1.452  -0.105  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        2.904  -0.695   0.670  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        2.795   0.685   0.480  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        3.559   1.311  -0.510  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        5.188   2.451  -2.533  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.229   1.048  -2.301  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  C   LIG    1       -3.665   0.762  -0.849  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -3.547   2.086  -1.041  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.598   2.925  -1.640  0.00  0.00    +0.330 C 
ATOM     27  O   LIG    1       -4.337   3.884  -2.345  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -5.851   2.562  -1.310  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1       -5.899   1.890  -0.608  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   7  24
TORSDOF 7