REMARK  Name = BDB063361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.316   0.086  -0.409  0.00  0.00    +0.118 A 
ATOM      2  C   LIG    1       -1.447  -0.336  -1.417  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.096  -0.369  -1.130  0.00  0.00    +0.043 A 
ATOM      4  S   LIG    1        1.247  -0.864  -2.222  0.00  0.00    -0.047 S 
ATOM      5  C   LIG    1        2.352  -0.538  -0.931  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1        1.737  -0.101   0.198  0.00  0.00    -0.275 N 
ATOM      7  C   LIG    1        2.717   0.110   1.107  0.00  0.00    +0.230 A 
ATOM      8  N   LIG    1        3.880  -0.189   0.550  0.00  0.00    -0.137 NA
ATOM      9  N   LIG    1        3.643  -0.605  -0.762  0.00  0.00    -0.122 NA
ATOM     10  C   LIG    1        0.358   0.014   0.144  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -0.487   0.434   1.155  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.853   0.467   0.863  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -3.648   0.114  -0.706  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -4.144   0.422   0.071  0.00  0.00    +0.292 HD
ENDBRANCH   1  13
TORSDOF 1