REMARK  Name = BDB000084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.128  -0.987   1.192  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -2.390  -0.795   0.561  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.338   0.464  -0.042  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.410   1.007  -0.761  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -4.573   0.240  -0.870  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.660  -1.018  -0.281  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.097   0.999   0.225  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.807   1.922  -0.072  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -3.580  -1.545   0.437  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -0.338   0.124   0.972  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.065   0.416   1.410  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1        2.116  -0.019   0.417  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        2.892   1.080   0.048  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        3.944   0.987  -0.838  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.216  -0.276  -1.365  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        3.451  -1.399  -1.002  0.00  0.00    +0.016 A 
ATOM     17 BR   LIG    1        5.644  -0.483  -2.589  0.00  0.00    -0.050 Br
ATOM     18  N   LIG    1        2.436   2.220   0.690  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        2.814   3.150   0.583  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.390  -1.275  -0.099  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.341   1.940   1.502  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1        0.707   2.776   2.126  0.00  0.00    -0.274 OA
ENDBRANCH  10  11
BRANCH   1  24
ATOM     23  O   LIG    1       -1.304  -3.194   1.775  0.00  0.00    -0.143 OA
ATOM     24  N   LIG    1       -0.679  -2.148   1.973  0.00  0.00    -0.028 NA
ENDBRANCH   1  24
TORSDOF 2