REMARK  Name = BDB064071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.501   0.307  -0.087  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -4.066   0.127  -0.132  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1       -3.366  -0.701  -0.992  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1       -3.942  -1.701  -2.182  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1       -2.016  -0.567  -0.709  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1       -1.276  -1.032  -1.215  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1       -1.838   0.331   0.304  0.00  0.00    +0.098 C 
ATOM      8  C   LIG    1       -0.704   0.762   0.864  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1       -3.201   0.813   0.696  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1       -3.448   1.639   1.556  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.580   0.288   0.501  0.00  0.00    +0.042 A 
ATOM     12  N   LIG    1        1.631   1.174   0.563  0.00  0.00    -0.355 N 
ATOM     13  H   LIG    1        1.563   2.145   0.834  0.00  0.00    +0.166 HD
ATOM     14  C   LIG    1        2.804   0.566   0.176  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        2.499  -0.761  -0.119  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.534  -1.621  -0.533  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.836  -1.119  -0.644  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.112   0.214  -0.347  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.100   1.084   0.071  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        1.103  -0.926   0.098  0.00  0.00    +0.035 A 
ENDBRANCH   8  11
TORSDOF 1