REMARK  Name = BDB061644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.503   2.585   0.849  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.552   1.423   0.865  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1       -2.967   0.123   1.189  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.023  -0.908   1.319  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -2.402  -2.288   1.779  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.679  -0.657   0.982  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.251   0.613   0.584  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -1.201   1.645   0.545  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   7   9
ATOM      9  N   LIG    1        1.096   0.879   0.248  0.00  0.00    -0.180 N 
ATOM     10  C   LIG    1        2.206   0.002   0.184  0.00  0.00    +0.356 A 
ATOM     11  O   LIG    1        2.213  -1.202   0.403  0.00  0.00    -0.244 OA
ATOM     12  N   LIG    1        3.279   0.810  -0.183  0.00  0.00    -0.250 N 
ATOM     13  C   LIG    1        2.752   2.047  -0.308  0.00  0.00    +0.231 A 
ATOM     14  N   LIG    1        1.484   2.157  -0.075  0.00  0.00    -0.152 NA
BRANCH  12  15
ATOM     15  C   LIG    1        4.629   0.429  -0.397  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        5.033  -0.912  -0.345  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        6.366  -1.287  -0.568  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        7.341  -0.327  -0.850  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        6.952   1.016  -0.901  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        5.618   1.385  -0.677  0.00  0.00    +0.027 A 
BRANCH  18  21
ATOM     21  C   LIG    1        8.779  -0.711  -1.099  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        9.196  -0.369  -2.349  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        9.018  -2.046  -0.976  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        9.637  -0.096  -0.238  0.00  0.00    -0.166 F 
ENDBRANCH  18  21
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   3  25
ATOM     25  O   LIG    1       -4.279  -0.129   1.485  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.172  -0.470   0.395  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -4.524  -0.598  -0.997  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -5.813  -1.810   0.790  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.312   0.583   0.354  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -6.423   1.530   1.120  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.248   0.380  -0.609  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.132  -0.412  -1.162  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7