REMARK  Name = BDB040554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -1.892   0.395  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.477  -1.105   0.196  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.164  -1.159  -1.016  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.322  -0.397  -1.220  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -4.091  -0.601  -2.763  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.837   0.466  -0.221  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.136   0.493   1.003  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.628   1.421   2.377  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.973  -0.271   1.199  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.100   1.278  -0.518  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.147   2.686   0.056  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.305   3.539  -0.218  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.178   2.976   0.917  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.180   3.917   1.288  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.983   2.088   1.583  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.703   2.456   2.507  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.875   0.639   1.176  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -6.401   0.506  -0.259  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.429  -1.373  -1.385  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        0.923  -1.161  -0.119  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.312  -0.418   0.452  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.989  -2.250  -2.126  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.568  -0.419  -1.805  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        3.047  -0.772  -3.230  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        2.000   1.017  -1.872  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.618  -0.659   1.182  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1        4.689   0.322   1.192  0.00  0.00    -0.148 NA
ATOM     28  N   LIG    1        3.736   0.384   0.206  0.00  0.00    -0.153 NA
ATOM     29  C   LIG    1        3.703  -0.530  -0.791  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        4.624  -1.571  -0.802  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        5.596  -1.633   0.193  0.00  0.00    +0.033 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.928   0.627   2.937  0.00  0.00    +0.092 C 
ATOM     33  C   LIG    1        6.646  -0.721   2.291  0.00  0.00    +0.289 C 
ATOM     34  F   LIG    1        6.269  -1.585   3.282  0.00  0.00    -0.199 F 
ATOM     35  F   LIG    1        7.848  -1.206   1.843  0.00  0.00    -0.199 F 
ENDBRANCH  26  33
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6