REMARK  Name = BDB040627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647  -1.008   2.074  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.818  -0.998   1.729  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -1.608   0.132   1.968  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.971   0.156   1.623  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1       -3.794   1.638   1.952  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.584  -0.958   1.030  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -2.760  -2.070   0.777  0.00  0.00    +0.129 A 
ATOM      8  F   LIG    1       -3.279  -3.151   0.173  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -1.409  -2.100   1.113  0.00  0.00    +0.044 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.041  -1.083   0.606  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -6.059  -0.421   1.520  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.199  -0.745   2.699  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.820   0.587   0.980  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.478   1.020   1.613  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.585   1.282  -0.180  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.196   2.317  -0.433  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.490   0.755  -1.075  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.281  -0.733  -0.868  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.010  -1.451   0.057  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.435  -0.566   0.947  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.485   0.429   0.763  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.949  -2.669   0.215  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.667  -0.042  -1.984  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.723  -0.801  -1.146  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.316  -1.894  -2.062  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.824   0.123  -0.633  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        3.611   1.459  -0.706  0.00  0.00    -0.150 NA
ATOM     28  N   LIG    1        4.544   2.342  -0.232  0.00  0.00    -0.111 NA
ATOM     29  C   LIG    1        5.685   1.880   0.313  0.00  0.00    +0.239 A 
ATOM     30  C   LIG    1        5.933   0.531   0.444  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        4.984  -0.366  -0.037  0.00  0.00    +0.031 A 
BRANCH  29  32
ATOM     32  O   LIG    1        6.621   2.745   0.823  0.00  0.00    -0.415 OA
BRANCH  32  33
ATOM     33  C   LIG    1        6.407   4.074   0.385  0.00  0.00    +0.542 C 
ATOM     34  F   LIG    1        7.285   4.856   1.069  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.759   4.165  -0.921  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7