REMARK  Name = BDB007058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.716   0.032  -0.711  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1        1.409  -0.335   0.696  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1        2.784  -0.515   0.847  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        3.587  -0.494  -0.309  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        4.967  -0.674  -0.149  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.495  -0.867   1.123  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.624  -0.872   2.197  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        3.000  -0.292  -1.569  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.619  -0.117  -1.686  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        3.288  -0.702   2.086  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        0.794  -0.142  -0.551  0.00  0.00    +0.021 A 
BRANCH   2  12
ATOM     12  O   LIG    1        0.638  -0.334   1.841  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        1.287  -0.516   2.557  0.00  0.00    +0.292 HD
ENDBRANCH   2  12
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1       -1.530  -1.249  -0.434  0.00  0.00    -0.022 A 
ATOM     15  C   LIG    1       -2.877  -1.166  -0.023  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -3.666  -2.313   0.204  0.00  0.00    +0.073 A 
ATOM     17  C   LIG    1       -3.092  -3.568  -0.009  0.00  0.00    +0.053 A 
ATOM     18 CL   LIG    1       -3.969  -5.035   0.237  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -1.769  -3.674  -0.445  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -1.000  -2.528  -0.664  0.00  0.00    +0.007 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -5.092  -2.167   0.660  0.00  0.00    +0.419 C 
ATOM     22  F   LIG    1       -5.332  -2.757   1.864  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -5.479  -0.866   0.816  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.989  -2.702  -0.215  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH   1  14
BRANCH   1  25
ATOM     25  N   LIG    1       -1.189   1.109   0.168  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1       -0.813   0.950   1.103  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.922   2.419  -0.245  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1       -0.492   2.672  -1.499  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1       -0.296   3.967  -1.854  0.00  0.00    +0.132 A 
ATOM     30  C   LIG    1       -0.525   5.042  -1.014  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -0.252   6.651  -1.539  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -0.989   4.780   0.265  0.00  0.00    +0.025 A 
ATOM     33  C   LIG    1       -1.196   3.455   0.649  0.00  0.00    +0.045 A 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 6