REMARK  Name = BDB021885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.119   0.443   0.457  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.051   1.741  -0.065  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.207   2.307   0.008  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.971   1.652   0.083  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.023   2.295  -0.566  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.570   3.635  -0.298  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -2.938   3.923  -0.383  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.367   5.221  -0.668  0.00  0.00    +0.020 A 
ATOM      9 BR   LIG    1       -5.218   5.590  -0.786  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.446   6.245  -0.865  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.084   5.967  -0.771  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -0.649   4.669  -0.485  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        4.076  -0.962  -0.507  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        3.737  -0.792   0.908  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        2.536   0.140   1.081  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.340  -0.373   0.272  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        1.734  -0.583  -1.196  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.959  -1.496  -1.291  0.00  0.00    +0.086 C 
BRANCH  13  20
ATOM     19  C   LIG    1        5.355  -3.150  -0.262  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        5.330  -1.694  -0.717  0.00  0.00    +0.081 C 
ENDBRANCH  13  20
ENDBRANCH   1  16
BRANCH   1  21
ATOM     21  C   LIG    1       -0.846  -0.064   1.437  0.00  0.00    +0.144 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.867  -1.030   0.871  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -2.618  -1.808   1.772  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -3.569  -2.669   1.264  0.00  0.00    +0.167 A 
ATOM     25  O   LIG    1       -4.370  -3.487   1.998  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1       -5.132  -4.128   0.953  0.00  0.00    +0.466 C 
ATOM     27  O   LIG    1       -4.779  -3.679  -0.372  0.00  0.00    -0.453 OA
ATOM     28  C   LIG    1       -3.802  -2.778  -0.084  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1       -3.099  -2.031  -1.001  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -2.127  -1.148  -0.516  0.00  0.00    +0.009 A 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5