REMARK  Name = BDB040538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453  -1.198  -2.723  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.605  -0.410  -2.155  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.448   0.934  -1.819  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.509   1.665  -1.266  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.156   3.317  -0.871  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.778   1.080  -1.028  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.903  -0.289  -1.342  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -5.330  -1.221  -1.050  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.836  -1.015  -1.899  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.894   1.943  -0.435  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.302   1.667  -0.942  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.605   1.753  -2.131  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.241   1.297  -0.010  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -8.164   1.110  -0.378  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.013   0.816   1.254  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.908   0.271   1.895  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.600   0.916   1.772  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.844   2.044   1.095  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.485  -1.069  -1.194  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        0.364  -1.738  -1.660  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.010  -2.515  -1.136  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.866  -0.030  -1.731  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.579  -3.166  -0.314  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.177  -1.715   0.025  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        1.192  -1.749   1.212  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.416  -0.900   0.394  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        3.276   0.114   1.275  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        4.375   0.842   1.549  0.00  0.00    +0.118 A 
ATOM     29  C   LIG    1        5.616   0.595   1.004  0.00  0.00    -0.006 A 
ATOM     30  C   LIG    1        5.662  -0.474   0.135  0.00  0.00    +0.118 A 
ATOM     31  N   LIG    1        4.593  -1.232  -0.176  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1        6.822   1.415   1.340  0.00  0.00    +0.110 C 
BRANCH  32  33
ATOM     33  C   LIG    1        7.827   0.655   2.191  0.00  0.00    +0.345 C 
ATOM     34  F   LIG    1        8.789   1.514   2.615  0.00  0.00    -0.209 F 
ATOM     35  F   LIG    1        8.456  -0.281   1.436  0.00  0.00    -0.209 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7