REMARK  Name = BDB064082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.257  -0.547   0.394  0.00  0.00    -0.249 N 
ATOM      2  C   LIG    1        2.689  -1.562  -0.362  0.00  0.00    +0.144 C 
ATOM      3  S   LIG    1        3.414  -2.859  -1.099  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1        1.326  -1.326  -0.424  0.00  0.00    -0.292 N 
ATOM      5  H   LIG    1        0.628  -1.889  -0.903  0.00  0.00    +0.154 HD
ATOM      6  C   LIG    1        1.014  -0.185   0.255  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.194   0.365   0.410  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        2.292   0.356   0.801  0.00  0.00    +0.266 C 
ATOM      9  O   LIG    1        2.418   1.379   1.448  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.426  -0.148  -0.115  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -2.704   0.461   0.070  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.597  -0.366  -0.603  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1       -4.973  -0.120  -0.666  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.447   1.020  -0.012  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.580   1.872   0.672  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.832  -1.371  -1.124  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1       -3.148  -2.158  -1.678  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1       -3.206   1.606   0.723  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1       -1.520  -1.270  -0.849  0.00  0.00    -0.173 NA
ENDBRANCH   7  10
BRANCH   1  21
ATOM     20  C   LIG    1        5.352   0.503  -0.361  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1        4.667  -0.351   0.694  0.00  0.00    +0.112 C 
ENDBRANCH   1  21
TORSDOF 2