REMARK  Name = BDB061981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.442   0.241  -0.032  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -2.120   0.528  -1.337  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1       -0.758   0.505  -1.354  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -0.322   0.209  -0.076  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.056   0.127   0.170  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.950   0.349  -0.895  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.454   0.646  -2.174  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        0.077   0.732  -2.437  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -1.398   0.044   0.757  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.603   0.093   0.998  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -6.214   0.376  -0.316  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.859   0.428  -0.661  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.864   0.194   0.299  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.261  -0.096   1.612  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.614  -0.148   1.959  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.620  -1.384   1.189  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -8.062   0.020   1.366  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.326   0.255  -0.590  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.541   0.021   0.373  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        4.394   0.402  -1.454  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        4.341   0.672  -2.648  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.748   0.281  -0.841  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        6.119  -0.711   0.080  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1        5.020  -1.968   0.545  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.432  -0.688   0.569  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1        8.376   0.263   0.159  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        8.002   1.227  -0.769  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.697   1.235  -1.265  0.00  0.00    +0.014 A 
BRANCH  25  29
ATOM     29  N   LIG    1        7.864  -1.660   1.547  0.00  0.00    +0.058 N 
ATOM     30  O   LIG    1        7.401  -1.548   2.689  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1        8.693  -2.498   1.174  0.00  0.00    -0.126 OA
ENDBRANCH  25  29
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 5