REMARK  Name = BDB061911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.192  -1.357   0.348  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1       -0.081  -2.162   0.953  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.720   1.423  -1.605  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1        2.937   0.170  -1.262  0.00  0.00    +0.072 C 
ATOM      5  S   LIG    1        1.162   0.482  -1.156  0.00  0.00    -0.086 S 
ATOM      6  C   LIG    1        1.002  -0.770   0.060  0.00  0.00    +0.154 C 
ATOM      7  N   LIG    1        2.105  -1.183   0.605  0.00  0.00    -0.262 NA
ATOM      8  C   LIG    1        3.241  -0.371   0.129  0.00  0.00    +0.158 C 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -1.496  -0.830   0.393  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -1.793   0.538   0.404  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -3.120   0.973   0.415  0.00  0.00    +0.119 A 
ATOM     12  C   LIG    1       -4.171   0.067   0.414  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -3.897  -1.296   0.398  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.571  -1.737   0.384  0.00  0.00    +0.023 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -3.429   2.302   0.431  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1       -2.605   2.812   0.365  0.00  0.00    +0.292 HD
ENDBRANCH  11  15
ENDBRANCH   1   9
TORSDOF 3