REMARK  Name = BDB065011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.463   2.372   0.690  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.103   1.001   0.253  0.00  0.00    +0.073 A 
ATOM      3  N   LIG    1       -2.983   0.025  -0.204  0.00  0.00    -0.217 N 
ATOM      4  N   LIG    1       -2.262  -1.017  -0.697  0.00  0.00    -0.060 NA
ATOM      5  N   LIG    1       -0.983  -0.817  -0.439  0.00  0.00    -0.126 NA
ATOM      6  C   LIG    1       -0.848   0.409   0.150  0.00  0.00    +0.155 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.408  -0.042  -0.222  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -5.211   0.818   0.538  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -6.607   0.710   0.491  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -7.207  -0.263  -0.304  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -9.090  -0.402  -0.360  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -6.425  -1.138  -1.050  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -5.031  -1.033  -1.005  0.00  0.00    +0.029 A 
ENDBRANCH   3   7
BRANCH   6  14
ATOM     14  C   LIG    1        0.437   0.964   0.564  0.00  0.00    +0.208 C 
ATOM     15  O   LIG    1        0.559   2.026   1.167  0.00  0.00    -0.286 OA
BRANCH  14  16
ATOM     16  C   LIG    1        1.613   0.123   0.198  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1        2.848   0.513   0.553  0.00  0.00    +0.012 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.071  -0.236   0.231  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1        5.247   0.477  -0.034  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        6.435  -0.212  -0.320  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1        6.466  -1.611  -0.334  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        5.300  -2.322  -0.053  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.113  -1.639   0.232  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  N   LIG    1        7.661   0.543  -0.607  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        7.597   1.780  -0.581  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        8.690  -0.101  -0.859  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 5