REMARK  Name = BDB063383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.777   0.237  -0.782  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1       -3.390   0.376  -0.802  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -2.575   0.864   0.316  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1       -1.160   1.226  -0.118  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -0.429   0.030  -0.756  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -1.397  -0.881  -1.536  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -2.651  -0.126  -1.968  0.00  0.00    +0.110 C 
ATOM      8  O   LIG    1       -5.369  -0.273  -1.740  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -6.924  -0.001   0.514  0.00  0.00    +0.061 C 
ATOM     10  C   LIG    1       -5.596   0.765   0.419  0.00  0.00    +0.234 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.892   2.240   0.106  0.00  0.00    +0.427 C 
ATOM     12  F   LIG    1       -4.777   2.986  -0.042  0.00  0.00    -0.167 F 
ATOM     13  F   LIG    1       -6.656   2.414  -0.992  0.00  0.00    -0.167 F 
ATOM     14  F   LIG    1       -6.573   2.785   1.153  0.00  0.00    -0.167 F 
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1       -4.972   0.583   1.707  0.00  0.00    -0.373 OA
ATOM     16  H   LIG    1       -5.360   1.244   2.312  0.00  0.00    +0.211 HD
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.501   0.575  -1.703  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1        1.354   0.757  -1.245  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   5  19
ATOM     19  C   LIG    1        0.344  -0.776   0.311  0.00  0.00    +0.053 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.224  -1.881  -0.284  0.00  0.00    +0.104 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.286  -2.237   0.647  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        2.217  -3.183   1.023  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.581  -1.697   0.705  0.00  0.00    +0.099 C 
ATOM     24  C   LIG    1        3.865  -0.349   0.064  0.00  0.00    +0.227 C 
ATOM     25  O   LIG    1        2.981   0.314  -0.477  0.00  0.00    -0.284 OA
ATOM     26  C   LIG    1        5.252   0.177   0.111  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1        6.253  -0.513   0.759  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        7.540   0.035   0.775  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        7.775   1.252   0.141  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.712   1.878  -0.486  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.978  -1.788   1.418  0.00  0.00    +0.208 C 
ATOM     32  O   LIG    1        6.882  -2.370   2.007  0.00  0.00    -0.286 OA
ATOM     33  N   LIG    1        5.462   1.370  -0.514  0.00  0.00    -0.251 NA
ATOM     34  C   LIG    1        4.597  -2.322   1.332  0.00  0.00    +0.113 C 
ATOM     35 CL   LIG    1        4.343  -3.864   2.101  0.00  0.00    -0.078 Cl
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8