REMARK  Name = BDB041341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.198  -0.015  -2.197  0.00  0.00    +0.226 A 
ATOM      2  C   LIG    1       -1.356  -0.377  -1.127  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -0.124  -0.904  -1.543  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        0.789  -1.306  -0.545  0.00  0.00    +0.145 A 
ATOM      5  N   LIG    1        0.534  -1.221   0.778  0.00  0.00    -0.238 NA
ATOM      6  C   LIG    1       -0.652  -0.716   1.156  0.00  0.00    +0.123 A 
ATOM      7  N   LIG    1        0.202  -1.052  -2.848  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -0.688  -0.658  -3.760  0.00  0.00    +0.225 A 
ATOM      9  C   LIG    1       -1.625  -0.271   0.271  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.884  -0.139  -3.502  0.00  0.00    -0.201 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.857   0.270   0.840  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -3.159   1.607   0.952  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1       -2.366   2.735   0.518  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.348   1.842   1.541  0.00  0.00    -0.176 NA
ATOM     15  C   LIG    1       -4.827   0.624   1.814  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -6.145   0.471   2.472  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -3.931  -0.388   1.406  0.00  0.00    +0.052 A 
ENDBRANCH   9  11
BRANCH   1  19
ATOM     18  C   LIG    1       -4.248   0.812  -3.025  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1       -3.434   0.519  -1.895  0.00  0.00    -0.479 OA
ENDBRANCH   1  19
BRANCH   4  20
ATOM     20  N   LIG    1        2.068  -1.750  -0.964  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1        1.933  -2.317  -1.798  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.894  -2.402   0.045  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.631  -1.428   0.927  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.275  -0.287   0.453  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.326   0.290  -0.912  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.436   1.319  -0.706  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        5.518   1.651   0.699  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        4.954   0.566   1.318  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        5.034   0.332   2.675  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.422  -0.818   3.170  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        3.740  -1.683   2.302  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.188  -2.791   2.820  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5