REMARK  Name = BDB040614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.559  -3.344  -0.110  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.262  -2.251   0.652  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.569  -1.038   0.030  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.209   0.001   0.726  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.445   1.446  -0.192  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.587  -0.146   2.077  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.253  -1.379   2.691  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -2.589  -1.708   4.362  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.609  -2.410   1.991  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.291   0.932   2.905  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.338   1.764   2.179  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.324   1.263   1.641  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -4.134   3.122   2.133  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -4.841   3.649   1.638  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -2.962   3.799   2.362  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -2.841   4.979   2.047  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.818   2.998   2.934  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -2.326   1.804   3.720  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.284  -3.186  -1.757  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.753  -2.899  -0.517  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.298  -2.355   0.141  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.683  -3.861  -2.589  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.665  -2.555  -2.033  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        3.152  -2.936  -3.445  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        3.679  -3.139  -1.025  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        2.223   1.661  -1.709  0.00  0.00    +0.127 A 
ATOM     27  N   LIG    1        1.467   1.011  -2.636  0.00  0.00    -0.251 NA
ATOM     28  C   LIG    1        1.646  -0.329  -2.728  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1        2.543  -1.036  -1.927  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        3.290  -0.386  -0.997  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        3.128   0.960  -0.922  0.00  0.00    +0.140 A 
BRANCH  26  33
ATOM     32  C   LIG    1        0.763   3.720  -1.927  0.00  0.00    +0.092 C 
ATOM     33  C   LIG    1        2.131   3.166  -1.556  0.00  0.00    +0.289 C 
ATOM     34  F   LIG    1        2.391   3.564  -0.270  0.00  0.00    -0.199 F 
ATOM     35  F   LIG    1        3.063   3.812  -2.319  0.00  0.00    -0.199 F 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6