REMARK  Name = BDB028819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.566   0.355   0.749  0.00  0.00    +0.101 A 
ATOM      2  N   LIG    1       -2.278   0.598   1.123  0.00  0.00    -0.323 N 
ATOM      3  H   LIG    1       -2.120   1.298   1.834  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.226   0.173   0.376  0.00  0.00    +0.172 A 
ATOM      5  N   LIG    1       -1.319  -0.565  -0.676  0.00  0.00    -0.185 NA
ATOM      6  C   LIG    1       -2.581  -0.938  -1.082  0.00  0.00    +0.276 A 
ATOM      7  O   LIG    1       -2.781  -1.688  -2.032  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1       -3.756  -0.398  -0.344  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1       -4.608   0.874   1.475  0.00  0.00    -0.344 N 
ATOM     10  H   LIG    1       -5.506   0.434   1.283  0.00  0.00    +0.144 HD
ATOM     11  H   LIG    1       -4.419   0.906   2.473  0.00  0.00    +0.144 HD
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  S   LIG    1        0.338   0.699   0.954  0.00  0.00    -0.075 S 
BRANCH  12  13
ATOM     13  C   LIG    1        1.356   0.475  -0.553  0.00  0.00    +0.141 C 
ATOM     14  C   LIG    1        2.498   1.480  -0.490  0.00  0.00    +0.233 C 
ATOM     15  O   LIG    1        2.363   2.660  -0.815  0.00  0.00    -0.274 OA
ATOM     16  N   LIG    1        3.702   1.032  -0.001  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        4.437   1.724   0.062  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.027  -0.226   0.437  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        5.139  -0.465   0.899  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.940  -1.270   0.374  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        1.915  -0.941  -0.702  0.00  0.00    +0.033 C 
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 3