REMARK  Name = BDB029461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.829   3.522   1.086  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1       -2.316   2.292   0.636  0.00  0.00    +0.162 A 
ATOM      3  F   LIG    1       -3.647   2.111   0.608  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -1.460   1.278   0.167  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.069   1.551   0.173  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        0.423   2.793   0.615  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.456   3.772   1.076  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.893   0.526  -0.328  0.00  0.00    +0.269 C 
ATOM      9  N   LIG    1        2.109   0.480   0.331  0.00  0.00    -0.191 N 
ATOM     10  H   LIG    1        2.144   0.779   1.300  0.00  0.00    +0.183 HD
ATOM     11  O   LIG    1        0.561  -0.210  -1.251  0.00  0.00    -0.268 OA
BRANCH   9  12
ATOM     12  O   LIG    1        2.833  -0.717   0.087  0.00  0.00    -0.279 OA
BRANCH  12  13
ATOM     13  C   LIG    1        3.858  -0.446  -0.873  0.00  0.00    +0.193 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.649  -1.698  -1.079  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1        5.779  -2.058  -0.148  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        6.076  -1.634  -1.561  0.00  0.00    +0.006 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   1  18
ATOM     17  N   LIG    1       -3.437   5.364   1.941  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1       -2.737   4.526   1.549  0.00  0.00    +0.102 C 
ENDBRANCH   1  18
BRANCH   4  19
ATOM     19  N   LIG    1       -1.927   0.009  -0.242  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1       -1.309  -0.451  -0.926  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.031  -0.787   0.113  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1       -3.448  -1.801  -0.767  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1       -2.767  -2.003  -1.906  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1       -4.548  -2.613  -0.501  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -5.264  -2.414   0.673  0.00  0.00    +0.016 A 
ATOM     26  I   LIG    1       -6.910  -3.607   1.098  0.00  0.00    -0.044 I 
ATOM     27  C   LIG    1       -4.880  -1.416   1.569  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -3.770  -0.609   1.286  0.00  0.00    +0.027 A 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 7