REMARK  Name = BDB062094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.900  -1.661   0.549  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.437  -0.360   0.260  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1       -0.104  -0.072   0.207  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.741  -1.090   0.476  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.286  -2.359   0.785  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -1.031  -2.672   0.831  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  13
ATOM      7  F   LIG    1       -6.255  -2.007  -1.591  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1       -5.491  -2.248  -0.516  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1       -6.016  -2.885   0.604  0.00  0.00    +0.053 A 
ATOM     10 BR   LIG    1       -7.827  -3.425   0.646  0.00  0.00    -0.047 Br
ATOM     11  C   LIG    1       -5.199  -3.133   1.703  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -3.858  -2.733   1.674  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.315  -2.072   0.556  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.155  -1.848  -0.547  0.00  0.00    +0.049 A 
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  C   LIG    1       -2.301   0.808   0.018  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.283   1.204   0.941  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -4.086   2.316   0.691  0.00  0.00    +0.138 A 
ATOM     18  F   LIG    1       -5.013   2.652   1.600  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1       -3.927   3.061  -0.474  0.00  0.00    +0.053 A 
ATOM     20 BR   LIG    1       -5.016   4.567  -0.813  0.00  0.00    -0.047 Br
ATOM     21  C   LIG    1       -2.950   2.697  -1.397  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -2.141   1.582  -1.147  0.00  0.00    +0.011 A 
ENDBRANCH   2  15
BRANCH   4  23
ATOM     23  O   LIG    1        2.103  -0.889   0.452  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.473   0.458   0.145  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.003   0.562   0.147  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.458   2.024  -0.024  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.748   2.159  -0.838  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        6.696   1.097  -0.520  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        6.889   1.118   0.482  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.175  -0.227  -0.877  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        4.646  -0.326  -0.926  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5