REMARK  Name = BDB054814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.640   0.091   0.031  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.796  -0.255  -1.309  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.760  -1.103  -1.696  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.043   0.285  -2.278  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.067   1.159  -1.904  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.269   1.483  -0.553  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.400   0.950   0.411  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  14
ATOM      8  C   LIG    1        7.857   0.081  -0.325  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1        7.121  -0.806   0.647  0.00  0.00    +0.213 C 
ATOM     10  N   LIG    1        5.738  -0.672   0.706  0.00  0.00    -0.299 N 
ATOM     11  C   LIG    1        4.946  -0.015  -0.341  0.00  0.00    +0.126 C 
ATOM     12  C   LIG    1        3.609   0.522   0.186  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        2.873  -0.489   0.955  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        1.486  -0.499   1.087  0.00  0.00    +0.249 C 
ATOM     15  O   LIG    1        0.906  -0.980   2.060  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.658  -1.113   2.023  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1        5.002  -1.648   1.518  0.00  0.00    +0.126 C 
ATOM     18  O   LIG    1        7.744  -1.594   1.357  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -2.391   2.408  -0.136  0.00  0.00    +0.094 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.754   2.006  -0.687  0.00  0.00    +0.087 A 
ATOM     21  C   LIG    1       -4.436   0.779  -0.144  0.00  0.00    +0.059 A 
ATOM     22  N   LIG    1       -3.867  -0.003   0.849  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1       -3.120   0.415   1.395  0.00  0.00    +0.146 HD
ATOM     24  C   LIG    1       -4.635  -1.032   1.536  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1       -5.535  -1.743   0.529  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1       -6.399  -0.742  -0.251  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -5.625   0.473  -0.685  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -6.215   1.330  -1.736  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -7.311   1.085  -2.231  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.468   2.412  -2.119  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -5.858   3.012  -2.839  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.253   2.766  -1.619  0.00  0.00    -0.174 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3