REMARK  Name = BDB001332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.241  -0.790   0.238  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        1.099   0.267  -0.870  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.400   0.661  -0.770  0.00  0.00    +0.098 C 
ATOM      4  C   LIG    1       -0.722   1.960  -0.039  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.386   2.827  -0.907  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.808   4.085  -0.535  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.546   4.478   0.776  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -0.883   3.622   1.673  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -2.043   6.038   1.309  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -1.529   2.237  -2.150  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -1.948   2.663  -2.963  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.469   2.349   1.268  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.952   0.974  -2.189  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.897   0.279  -3.190  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.082  -0.552  -0.059  0.00  0.00    +0.075 C 
ATOM     16  N   LIG    1       -0.018  -1.558   0.080  0.00  0.00    -0.301 NA
ATOM     17  H   LIG    1       -0.170  -2.164   0.882  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.091   1.419  -0.916  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1        2.795   1.894   0.199  0.00  0.00    +0.145 A 
ATOM     20  F   LIG    1        2.610   1.327   1.401  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        3.680   2.970   0.091  0.00  0.00    +0.076 A 
ATOM     22 CL   LIG    1        4.520   3.550   1.480  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        3.886   3.591  -1.138  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        3.204   3.131  -2.261  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.317   2.056  -2.151  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     26  C   LIG    1        2.314  -2.413   2.465  0.00  0.00    +0.131 C 
ATOM     27  N   LIG    1        2.766  -2.602   1.096  0.00  0.00    -0.306 N 
ATOM     28  C   LIG    1        2.458  -1.721   0.051  0.00  0.00    +0.233 C 
ATOM     29  O   LIG    1        3.129  -1.694  -0.985  0.00  0.00    -0.274 OA
ATOM     30  C   LIG    1        3.953  -3.427   0.933  0.00  0.00    +0.131 C 
ENDBRANCH   1  28
BRANCH  15  31
ATOM     31  C   LIG    1       -2.348  -1.106  -0.746  0.00  0.00    +0.026 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -3.190  -2.192  -0.009  0.00  0.00    -0.036 C 
ATOM     33  C   LIG    1       -3.503  -1.786   1.440  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -4.527  -2.337  -0.771  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -2.503  -3.569  -0.016  0.00  0.00    +0.010 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 4