REMARK  Name = BDB040600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.250   1.402  -1.384  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.092   1.085  -0.780  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -1.628   1.876   0.244  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.863   1.556   0.830  0.00  0.00    +0.048 A 
ATOM      5 CL   LIG    1       -3.440   2.623   2.062  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.588   0.430   0.414  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.033  -0.347  -0.614  0.00  0.00    +0.129 A 
ATOM      8  F   LIG    1       -3.695  -1.425  -1.060  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -1.810  -0.037  -1.203  0.00  0.00    +0.044 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.923   0.027   1.018  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -4.917  -1.412   1.535  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -3.945  -1.928   2.084  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.103  -2.102   1.442  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.092  -3.042   1.812  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.337  -1.609   1.102  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.351  -2.287   1.239  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.385  -0.173   0.641  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.064   0.245   0.017  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.798  -0.533  -1.365  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        1.277   0.598  -0.769  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.662   0.904   0.121  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.423  -0.907  -2.476  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.100  -1.903   0.713  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        2.814  -1.327  -0.521  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        3.382  -2.494  -1.345  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.891  -0.370  -0.091  0.00  0.00    +0.211 A 
ATOM     27  O   LIG    1        5.123  -0.475  -0.688  0.00  0.00    -0.439 OA
ATOM     28  C   LIG    1        5.861   0.511  -0.103  0.00  0.00    +0.155 A 
ATOM     29  C   LIG    1        5.050   1.163   0.810  0.00  0.00    +0.110 A 
ATOM     30  C   LIG    1        5.581   2.226   1.551  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1        6.921   2.582   1.328  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.707   1.896   0.393  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        7.189   0.831  -0.354  0.00  0.00    +0.048 A 
ATOM     34  N   LIG    1        3.798   0.600   0.807  0.00  0.00    -0.212 NA
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5