REMARK  Name = BDB020964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.148  -2.768   1.408  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.160  -1.643   0.904  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.314  -1.078   0.362  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.575  -1.791   0.560  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.526  -1.606  -0.623  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.633  -0.155  -1.015  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -2.654   0.710  -0.691  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.406   0.350   0.059  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.828   0.279  -1.762  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.554   1.411  -1.354  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -6.699   1.811  -2.047  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.122   1.079  -3.149  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -8.220   1.461  -3.814  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.423  -0.046  -3.569  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.279  -0.448  -2.874  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.107  -0.810   0.827  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.288  -1.516   1.485  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.552  -0.691   1.464  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.656  -1.312   1.981  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        4.606  -2.260   2.328  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        5.887  -0.716   2.058  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        6.862  -1.290   2.530  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.964   0.660   1.536  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1        4.792   1.228   1.024  0.00  0.00    +0.096 A 
ATOM     25  C   LIG    1        4.867   2.539   0.528  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1        6.075   3.249   0.544  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        7.229   2.660   1.059  0.00  0.00    +0.002 A 
ATOM     28 CL   LIG    1        3.471   3.332  -0.121  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        7.176   1.361   1.559  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1        3.574   0.515   1.002  0.00  0.00    -0.232 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4