REMARK  Name = BDB040560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066   3.087  -1.752  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.857   1.843  -1.433  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.506   1.711  -0.203  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.100   0.498   0.169  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.848   0.479   1.732  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.063  -0.629  -0.681  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.451  -0.460  -1.941  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -1.381  -1.726  -3.121  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -0.851   0.752  -2.304  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -2.603  -1.991  -0.252  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -1.986  -2.479   1.058  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -0.817  -2.256   1.372  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -2.785  -3.263   1.854  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -2.366  -3.590   2.714  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -4.009  -3.801   1.546  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -4.549  -4.615   2.290  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.602  -3.413   0.213  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.134  -2.032  -0.221  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.244   2.300  -1.470  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.178   3.060  -1.012  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.084   3.155  -0.005  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.306   1.908  -2.634  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.937   3.286   0.118  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        3.333   1.982  -0.426  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        4.456   1.156  -1.074  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        2.652   1.223   0.676  0.00  0.00    +0.232 A 
ATOM     27  O   LIG    1        2.896  -0.118   0.819  0.00  0.00    -0.416 OA
ATOM     28  C   LIG    1        2.088  -0.447   1.889  0.00  0.00    +0.322 A 
ATOM     29  N   LIG    1        1.426   0.601   2.347  0.00  0.00    -0.103 NA
ATOM     30  N   LIG    1        1.789   1.676   1.565  0.00  0.00    -0.111 NA
BRANCH  28  31
ATOM     31  C   LIG    1        2.154  -1.847   2.389  0.00  0.00    +0.471 C 
ATOM     32  F   LIG    1        1.236  -2.126   3.352  0.00  0.00    -0.162 F 
ATOM     33  F   LIG    1        1.999  -2.771   1.402  0.00  0.00    -0.162 F 
ATOM     34  F   LIG    1        3.371  -2.107   2.950  0.00  0.00    -0.162 F 
ENDBRANCH  28  31
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6