REMARK  Name = BDB027389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.566  -0.352   1.012  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1       -0.299  -0.371   0.090  0.00  0.00    +0.127 C 
ATOM      3  N   LIG    1        0.865  -0.880   0.843  0.00  0.00    -0.327 N 
ATOM      4  C   LIG    1        0.664  -2.073   1.684  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1       -0.674  -2.745   1.396  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.871  -1.795   1.490  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.163  -0.524   0.496  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.263  -0.770   1.325  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        4.558  -0.449   1.060  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.824   0.184  -0.105  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        3.805   0.479  -1.004  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        2.484   0.127  -0.697  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.244   0.517  -0.344  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        6.633   1.628  -1.117  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        7.982   1.916  -1.324  0.00  0.00    +0.159 A 
ATOM     16  F   LIG    1        8.315   2.981  -2.066  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        8.970   1.115  -0.770  0.00  0.00    +0.158 A 
ATOM     18  F   LIG    1       10.264   1.397  -0.975  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1        8.624   0.018   0.004  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        7.271  -0.275   0.214  0.00  0.00    +0.013 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.790   0.337   0.312  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -4.045   0.391   1.213  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -5.212   1.111   0.540  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -5.567   0.487  -0.811  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1       -4.330   0.436  -1.710  0.00  0.00    +0.032 C 
ATOM     26  C   LIG    1       -3.158  -0.286  -1.051  0.00  0.00    +0.008 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -6.551   1.248  -1.511  0.00  0.00    -0.319 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -7.838   1.175  -0.930  0.00  0.00    +0.483 C 
ATOM     29  F   LIG    1       -8.729   1.552  -1.878  0.00  0.00    -0.178 F 
ATOM     30  F   LIG    1       -7.912   2.086   0.067  0.00  0.00    -0.178 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   1  21
BRANCH   1  31
ATOM     31  N   LIG    1       -1.234   0.447   2.228  0.00  0.00    -0.323 NA
ATOM     32  H   LIG    1       -0.277   0.194   2.498  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -1.148   1.430   1.968  0.00  0.00    +0.119 HD
ENDBRANCH   1  31
TORSDOF 6