REMARK  Name = BDB061913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299  -0.304  -0.787  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.125   0.672   0.026  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.359   0.320   0.547  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -3.128   1.578   1.387  0.00  0.00    -0.101 S 
ATOM      5  C   LIG    1       -1.839   2.651   1.052  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.959  -1.043   0.408  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.215  -1.817  -0.698  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -0.844   2.051   0.311  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1       -0.756  -1.692  -0.568  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.288  -2.286  -1.248  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.842   0.189   0.386  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.415   0.597  -0.876  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.079   0.434  -1.250  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.149  -0.136  -0.364  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        1.600  -0.544   0.904  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.935  -0.381   1.276  0.00  0.00    +0.000 A 
ENDBRANCH   1  14
TORSDOF 1