REMARK  Name = BDB027939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -2.039  -1.582  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -0.172  -1.207  -0.381  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.209  -0.703  -0.160  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1        1.706   0.320  -1.196  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1        1.387   0.312  -2.384  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        2.622   1.244  -0.743  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1        2.969   1.894  -1.435  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        3.270   1.262   0.467  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        4.204   2.031   0.670  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        2.835   0.234   1.483  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1        1.388  -0.175   1.268  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1       -1.303  -0.432  -0.109  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -1.382   0.949  -0.327  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.549   1.669  -0.030  0.00  0.00    +0.061 A 
ATOM     15 CL   LIG    1       -2.537   3.372  -0.331  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1       -3.667   1.011   0.488  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1       -5.134   1.833   0.879  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -3.612  -0.364   0.703  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -2.444  -1.071   0.404  0.00  0.00    +0.024 A 
ENDBRANCH   2  12
TORSDOF 2