REMARK  Name = BDB040548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521   1.538   1.402  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.851   1.139   0.929  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.575   0.139   1.579  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.838  -0.256   1.112  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.634  -1.476   2.050  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.413   0.326  -0.039  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.672   1.345  -0.675  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.261   2.199  -2.062  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.413   1.737  -0.202  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.776  -0.101  -0.581  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.900  -1.605  -0.814  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.972  -2.302  -1.220  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.147  -2.152  -0.625  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.220  -3.146  -0.796  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.335  -1.492  -0.438  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.404  -2.094  -0.458  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.258   0.009  -0.302  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.922   0.441   0.282  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.165   1.411  -0.440  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.537   0.842   0.648  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.685  -0.140   0.848  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.974   2.581  -0.767  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.741   1.226  -2.408  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        3.136   0.483  -1.198  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        2.334  -0.714  -1.755  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.256   0.049  -0.257  0.00  0.00    +0.074 A 
ATOM     27  N   LIG    1        4.413  -1.276  -0.000  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        5.416  -1.617   0.846  0.00  0.00    +0.140 A 
ATOM     29  C   LIG    1        6.246  -0.681   1.444  0.00  0.00    +0.124 A 
ATOM     30  N   LIG    1        6.088   0.649   1.208  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1        5.089   0.986   0.355  0.00  0.00    +0.135 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.329  -1.151   2.378  0.00  0.00    +0.391 C 
ATOM     33  F   LIG    1        6.830  -1.773   3.485  0.00  0.00    -0.202 F 
ATOM     34  F   LIG    1        8.165  -2.061   1.797  0.00  0.00    -0.202 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6