REMARK  Name = BDB061920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.563  -0.747  -0.748  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.416  -0.413   0.461  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.592   0.309   0.347  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.395   0.539   1.825  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -2.210  -0.366   2.663  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.109   0.854  -0.945  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.365   0.176  -2.112  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -1.220  -0.828   1.822  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -0.908   0.116  -1.899  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.570   1.054  -1.694  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.753   0.793   0.477  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        1.400   0.639   0.161  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        0.895  -0.573  -0.356  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        1.787  -1.643  -0.528  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.127  -1.517  -0.160  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.598  -0.312   0.361  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        3.202   1.960   1.106  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        4.200   2.119   1.008  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        2.656   2.784   0.877  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 2