REMARK  Name = BDB045793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.022  -2.603  -1.263  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        1.390  -2.513  -1.302  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.112  -3.592  -1.824  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.455  -4.718  -2.331  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.066  -4.782  -2.332  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.674  -3.727  -1.803  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.974  -1.921   0.023  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1       -2.090  -2.916   0.163  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -0.836  -1.506  -0.646  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.414  -0.355  -0.714  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1       -3.990   1.034   1.170  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1       -2.985   0.285   0.531  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.947  -1.107   0.642  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -3.939  -1.753   1.389  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.945  -1.020   2.022  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.971   0.368   1.913  0.00  0.00    +0.004 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.026   2.537   1.025  0.00  0.00    +0.155 C 
BRANCH  17  19
ATOM     18  O   LIG    1       -5.660   2.375  -0.808  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1       -4.899   3.021  -0.107  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.785   4.354  -0.292  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -5.389   4.537  -1.042  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1        2.021  -1.337  -0.821  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        1.369  -0.580  -0.612  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        3.369  -1.056  -0.736  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1        4.291  -1.796  -1.062  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.707   0.301  -0.207  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.907   0.893  -0.621  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.272   2.159  -0.153  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        4.449   2.849   0.750  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        3.250   2.249   1.167  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        2.884   0.982   0.700  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  C   LIG    1        4.830   4.226   1.240  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        4.375   4.489   2.496  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        4.330   5.212   0.446  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.176   4.426   1.284  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 8