REMARK  Name = BDB028837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.064  -0.510  -1.483  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.307  -0.883  -0.314  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        2.498  -1.366  -1.130  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1        2.651  -2.545  -1.445  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1        3.408  -0.414  -1.526  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1        4.185  -0.752  -2.077  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        3.479   0.900  -1.140  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        4.414   1.613  -1.496  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.342   1.424  -0.298  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1        1.715   0.318   0.538  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  13
ATOM     11  C   LIG    1       -3.236   0.812   0.681  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -2.145   0.747  -0.194  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -1.441  -0.451  -0.353  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.851  -1.590   0.347  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.938  -1.528   1.220  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.628  -0.328   1.391  0.00  0.00    +0.019 A 
BRANCH  11  18
ATOM     17  N   LIG    1       -4.519   3.044   0.991  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       -3.948   2.044   0.850  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 3