REMARK  Name = BDB040540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.311   2.342   0.045  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.038   1.685   0.164  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.527   1.263   1.401  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.772   0.626   1.501  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.236   0.121   3.093  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.576   0.391   0.365  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.051   0.795  -0.881  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.871   0.520  -2.383  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.805   1.430  -0.976  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.936  -0.291   0.500  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.077   0.482  -0.157  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.157   1.709  -0.137  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.085  -0.270  -0.712  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.842   0.255  -1.129  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.314  -1.612  -0.549  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.366  -2.126  -0.921  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.255  -2.392   0.190  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.886  -1.750   0.031  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.823   1.087  -1.464  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.331   1.353  -0.202  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.751   0.875   0.590  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.409   1.689  -2.454  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        3.362  -0.172  -3.001  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.848  -0.060  -1.550  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.139  -1.385  -1.204  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.994   0.191  -0.574  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1        5.203   0.535  -1.054  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1        6.185   0.755  -0.153  0.00  0.00    +0.160 A 
ATOM     29  C   LIG    1        6.029   0.637   1.210  0.00  0.00    +0.163 A 
ATOM     30  C   LIG    1        4.755   0.296   1.606  0.00  0.00    +0.160 A 
ATOM     31  N   LIG    1        3.731   0.067   0.750  0.00  0.00    -0.236 NA
BRANCH  29  32
ATOM     32  O   LIG    1        7.117   0.879   1.985  0.00  0.00    -0.431 OA
BRANCH  32  33
ATOM     33  C   LIG    1        7.012   0.512   3.351  0.00  0.00    +0.541 C 
ATOM     34  F   LIG    1        8.206   0.777   3.934  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.095   1.305   3.955  0.00  0.00    -0.166 F 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7