REMARK  Name = BDB032313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.493  -0.231   1.377  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.210  -1.424   1.395  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.530  -1.537   1.114  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        2.224  -0.427   0.788  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.592   0.818   0.768  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.231   0.916   1.059  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.598  -0.522   0.515  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        4.155  -1.867   0.816  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1        5.588  -2.004   0.410  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        6.451  -2.958   0.678  0.00  0.00    -0.132 NA
ATOM     11  N   LIG    1        7.637  -2.638   0.053  0.00  0.00    -0.125 NA
ATOM     12  C   LIG    1        7.477  -1.493  -0.588  0.00  0.00    +0.238 A 
ATOM     13  N   LIG    1        6.189  -1.077  -0.396  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1        5.529   0.120  -0.873  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        3.999  -0.012  -0.809  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1        8.465  -0.739  -1.392  0.00  0.00    +0.452 C 
ATOM     17  F   LIG    1        8.548   0.558  -0.987  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        8.106  -0.697  -2.704  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        9.719  -1.248  -1.341  0.00  0.00    -0.163 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.956  -0.175   1.718  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.697   0.386   0.594  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -2.408  -0.038  -0.285  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -6.904   1.433  -1.672  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -6.230   1.057  -0.482  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.819   0.917  -0.526  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.100   0.510   0.645  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -4.810   0.350   1.845  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.193   0.493   1.893  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.183   1.202  -1.749  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -4.937   1.570  -2.848  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -6.896   0.829   0.741  0.00  0.00    +0.012 A 
ATOM     32  N   LIG    1       -6.275   1.680  -2.833  0.00  0.00    -0.240 NA
BRANCH  23  33
ATOM     33  N   LIG    1       -8.301   1.584  -1.706  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1       -8.739   0.709  -1.440  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -8.574   2.304  -1.046  0.00  0.00    +0.144 HD
ENDBRANCH  23  33
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6