REMARK  Name = BDB032346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.428   2.698   1.956  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        0.758   1.868   0.898  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1        1.472   1.289  -0.163  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        0.730   0.568  -1.095  0.00  0.00    +0.118 A 
ATOM      5  N   LIG    1       -0.609   0.367  -1.035  0.00  0.00    -0.240 NA
ATOM      6  C   LIG    1       -1.283   0.904  -0.005  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -0.626   1.655   0.971  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -2.680   0.718   0.112  0.00  0.00    -0.304 N 
ATOM      9  C   LIG    1       -3.349   0.455  -1.205  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -3.440   1.766  -1.998  0.00  0.00    +0.036 C 
ATOM     11  C   LIG    1       -4.737  -0.114  -1.042  0.00  0.00    +0.154 A 
ATOM     12  N   LIG    1       -5.658  -0.356  -1.950  0.00  0.00    -0.132 NA
ATOM     13  N   LIG    1       -6.753  -0.892  -1.310  0.00  0.00    -0.125 NA
ATOM     14  C   LIG    1       -6.482  -0.978  -0.020  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -5.212  -0.512   0.178  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1       -4.454  -0.404   1.404  0.00  0.00    +0.144 C 
ATOM     17  C   LIG    1       -2.950  -0.333   1.116  0.00  0.00    +0.129 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -7.345  -1.479   1.074  0.00  0.00    +0.452 C 
ATOM     19  F   LIG    1       -7.417  -0.585   2.099  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -8.618  -1.742   0.692  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -6.846  -2.624   1.613  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   6   8
BRANCH   3  22
ATOM     22  C   LIG    1        2.955   1.491  -0.357  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.610   0.334  -0.970  0.00  0.00    -0.339 N 
ATOM     24  H   LIG    1        4.258   0.615  -1.702  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.206  -0.608  -0.117  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.490  -1.145  -0.378  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        6.002  -2.087   0.515  0.00  0.00    +0.141 A 
ATOM     28  N   LIG    1        7.244  -2.461   0.081  0.00  0.00    -0.330 N 
ATOM     29  H   LIG    1        7.833  -3.135   0.545  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        7.531  -1.783  -1.061  0.00  0.00    +0.109 A 
ATOM     31 CL   LIG    1        9.025  -2.067  -1.810  0.00  0.00    -0.064 Cl
ATOM     32  N   LIG    1        5.414  -2.575   1.620  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        4.180  -2.066   1.817  0.00  0.00    +0.115 A 
ATOM     34  C   LIG    1        6.485  -0.962  -1.387  0.00  0.00    +0.051 A 
ATOM     35  C   LIG    1        3.553  -1.121   1.013  0.00  0.00    +0.043 A 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 5