REMARK  Name = BDB064078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.194  -0.077  -0.079  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -2.754   0.063  -0.126  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1       -2.046   1.111  -0.688  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1       -2.614   2.471  -1.444  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1       -0.693   0.850  -0.525  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        0.041   1.451  -0.877  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1       -0.526  -0.341   0.119  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1        0.613  -0.956   0.450  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1       -1.895  -0.885   0.391  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1       -2.147  -1.938   0.945  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.951  -0.428   0.195  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        2.893  -1.147  -0.516  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        4.143  -0.708  -0.772  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1        4.448   0.502  -0.278  0.00  0.00    +0.221 A 
ATOM     15  N   LIG    1        3.629   1.289   0.437  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1        2.394   0.794   0.665  0.00  0.00    +0.122 A 
ENDBRANCH   8  11
TORSDOF 1