REMARK  Name = BDB032531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.981   0.057  -0.325  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.062  -0.870   0.178  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        0.308  -0.678   0.011  0.00  0.00    +0.148 A 
ATOM      4  F   LIG    1        1.163  -1.579   0.517  0.00  0.00    -0.203 F 
ATOM      5  C   LIG    1        0.774   0.442  -0.664  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1       -0.077   1.358  -1.189  0.00  0.00    -0.254 NA
ATOM      7  C   LIG    1       -1.407   1.141  -1.007  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.730   1.558   1.664  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -4.143   1.123   0.251  0.00  0.00    +0.138 C 
ATOM     10  N   LIG    1       -3.363  -0.082  -0.184  0.00  0.00    -0.317 N 
ATOM     11  C   LIG    1       -3.938  -1.378   0.223  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -5.374  -1.516  -0.300  0.00  0.00    +0.144 C 
ATOM     13  N   LIG    1       -6.164  -0.341  -0.011  0.00  0.00    -0.305 N 
ATOM     14  C   LIG    1       -7.524  -0.200   0.032  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -7.795   1.065   0.300  0.00  0.00    -0.125 NA
ATOM     16  N   LIG    1       -6.607   1.751   0.415  0.00  0.00    -0.132 NA
ATOM     17  C   LIG    1       -5.628   0.894   0.223  0.00  0.00    +0.154 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -8.467  -1.319  -0.195  0.00  0.00    +0.452 C 
ATOM     19  F   LIG    1       -8.364  -2.257   0.785  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -9.766  -0.940  -0.246  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1       -8.197  -1.967  -1.361  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   1  10
BRANCH   5  22
ATOM     22  C   LIG    1        2.262   0.653  -0.847  0.00  0.00    +0.160 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.936   0.864   0.447  0.00  0.00    -0.338 N 
ATOM     24  H   LIG    1        2.740   0.094   1.080  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.337   1.031   0.286  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        5.261  -0.048   0.404  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.637   0.198   0.172  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        7.534  -0.887   0.291  0.00  0.00    +0.124 A 
ATOM     29  N   LIG    1        7.163  -2.135   0.628  0.00  0.00    -0.240 NA
ATOM     30  C   LIG    1        5.854  -2.346   0.846  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        7.055   1.504  -0.168  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1        6.141   2.546  -0.304  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        4.886  -1.362   0.743  0.00  0.00    +0.030 A 
ATOM     34  C   LIG    1        4.791   2.305  -0.090  0.00  0.00    +0.023 A 
BRANCH  28  35
ATOM     35  N   LIG    1        8.907  -0.741   0.062  0.00  0.00    -0.343 N 
ATOM     36  H   LIG    1        9.075  -0.382  -0.870  0.00  0.00    +0.144 HD
ATOM     37  H   LIG    1        9.309  -1.668   0.180  0.00  0.00    +0.144 HD
ENDBRANCH  28  35
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6