REMARK  Name = BDB002757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114  -0.077  -0.042  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -0.306   0.054   0.017  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.372   0.692  -0.801  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.669   0.020  -0.252  0.00  0.00    +0.010 C 
ATOM      5  C   LIG    1       -2.328  -0.510   1.172  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.852  -0.601   1.085  0.00  0.00    -0.005 A 
ATOM      7  S   LIG    1        0.258  -1.385   2.048  0.00  0.00    -0.078 S 
ATOM      8  C   LIG    1        1.552  -0.861   1.030  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1        1.573   1.547  -1.747  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1        0.825   2.110  -1.372  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1        2.270   2.013  -2.312  0.00  0.00    +0.145 HD
ATOM     12  C   LIG    1        2.028   0.465  -1.045  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        3.155   0.026  -1.259  0.00  0.00    -0.270 OA
ENDBRANCH   1  12
BRANCH   8  14
ATOM     14  N   LIG    1        2.824  -1.217   1.326  0.00  0.00    -0.352 N 
ATOM     15  H   LIG    1        3.515  -1.141   0.576  0.00  0.00    +0.143 HD
ATOM     16  H   LIG    1        2.964  -2.033   1.915  0.00  0.00    +0.143 HD
ENDBRANCH   8  14
TORSDOF 2