REMARK  Name = BDB056227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.024  -0.605  -1.776  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.691  -0.443  -1.372  0.00  0.00    +0.230 C 
ATOM      3  O   LIG    1        0.072   0.266  -2.034  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.434  -0.007  -3.050  0.00  0.00    +0.111 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -2.265  -0.003  -5.556  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -1.966  -0.802  -4.285  0.00  0.00    +0.000 C 
ATOM      7  C   LIG    1       -2.623  -2.179  -4.374  0.00  0.00    +0.009 C 
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   2   8
ATOM      8  C   LIG    1       -0.254  -1.171  -0.080  0.00  0.00    +0.180 C 
BRANCH   8   9
ATOM      9  N   LIG    1        1.161  -1.001   0.318  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1        1.494   0.376   0.684  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1        2.905   0.457   1.269  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        3.939  -0.122   0.298  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1        3.525  -1.551  -0.086  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        2.102  -1.579  -0.644  0.00  0.00    +0.085 C 
BRANCH  12  15
ATOM     15  C   LIG    1        5.332  -0.105   0.922  0.00  0.00    +0.166 C 
ATOM     16  O   LIG    1        5.859  -1.127   1.362  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1        6.091   1.184   1.020  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        5.669   2.368   0.398  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        6.426   3.538   0.526  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        7.601   3.524   1.268  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1        8.320   4.647   1.385  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        8.038   2.362   1.887  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        7.285   1.192   1.762  0.00  0.00    +0.014 A 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   8   9
ENDBRANCH   2   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.994  -1.452  -1.072  0.00  0.00    +0.182 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.560  -0.748   0.156  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1       -4.025   0.524  -0.029  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -3.922   0.992  -0.917  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -4.548   1.269   0.987  0.00  0.00    +0.257 A 
ATOM     29  O   LIG    1       -4.944   2.416   0.822  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -4.604   0.589   2.291  0.00  0.00    +0.064 A 
ATOM     31  C   LIG    1       -5.157   1.339   3.458  0.00  0.00    +0.202 C 
ATOM     32  O   LIG    1       -4.872   0.686   4.706  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1       -5.146  -0.716   4.650  0.00  0.00    +0.166 C 
ATOM     34  C   LIG    1       -4.187  -1.399   3.676  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -4.137  -0.667   2.358  0.00  0.00    +0.056 A 
ATOM     36  N   LIG    1       -3.611  -1.362   1.295  0.00  0.00    -0.237 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8