REMARK  Name = BDB040543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133  -2.194  -1.897  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.133  -1.721  -1.233  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.220  -1.647   0.159  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.385  -1.186   0.788  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.333  -1.127   2.518  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.511  -0.779   0.040  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.394  -0.831  -1.365  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.655  -0.298  -2.428  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.227  -1.296  -1.989  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.799  -0.286   0.698  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.366  -1.256   1.733  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.336  -2.477   1.596  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.007  -0.693   2.810  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.393  -1.346   3.478  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.404   0.611   2.960  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.160   0.943   3.869  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.946   1.581   1.899  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.640   1.129   1.264  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.016  -0.760  -1.189  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.039  -1.087  -2.112  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.781  -0.418  -2.824  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.217  -1.465  -0.203  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.814   1.718  -1.405  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.809   0.538  -1.487  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.401   0.487  -2.910  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.968   0.731  -0.504  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1        4.120   1.947   0.068  0.00  0.00    -0.153 NA
ATOM     28  N   LIG    1        5.164   2.204   0.926  0.00  0.00    -0.145 NA
ATOM     29  C   LIG    1        6.063   1.236   1.213  0.00  0.00    +0.166 A 
ATOM     30  C   LIG    1        5.960  -0.015   0.621  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1        4.904  -0.268  -0.251  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.205   1.560   2.145  0.00  0.00    +0.436 C 
ATOM     33  F   LIG    1        6.927   2.539   3.052  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        7.606   0.482   2.884  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        8.322   1.974   1.479  0.00  0.00    -0.164 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6