REMARK  Name = BDB052470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.604  -1.181  -0.581  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -0.555  -0.498  -0.290  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -0.643   0.340   0.264  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.613  -1.149  -0.867  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1       -1.031  -2.234  -1.497  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -1.736  -3.151  -2.192  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -3.068  -2.911  -2.211  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.724  -1.838  -1.599  0.00  0.00    +0.059 A 
ATOM      9 BR   LIG    1       -5.612  -1.760  -1.788  0.00  0.00    -0.047 Br
ATOM     10  C   LIG    1       -2.984  -0.881  -0.880  0.00  0.00    +0.073 A 
ATOM     11  N   LIG    1        0.323  -2.244  -1.319  0.00  0.00    -0.208 NA
ENDROOT
BRANCH  10  12
ATOM     12  N   LIG    1       -3.445   0.244  -0.218  0.00  0.00    -0.325 N 
ATOM     13  C   LIG    1       -4.257   0.017   0.997  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -5.510   0.921   1.048  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1       -5.243   2.356   0.850  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1       -6.115   2.823   0.602  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -4.233   2.587  -0.200  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -3.875   1.363  -1.075  0.00  0.00    +0.120 C 
ENDBRANCH  10  12
BRANCH   1  22
ATOM     19  C   LIG    1        4.602  -0.068   0.705  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.335  -1.239  -0.021  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.039  -1.586  -0.435  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.941  -0.780  -0.129  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        2.179   0.382   0.607  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.482   0.722   1.016  0.00  0.00    +0.024 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.167   1.665   1.486  0.00  0.00    +0.129 C 
ATOM     26  N   LIG    1        5.891   0.273   1.134  0.00  0.00    -0.336 N 
ATOM     27  C   LIG    1        7.033  -0.487   0.628  0.00  0.00    +0.129 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 3