REMARK  Name = BDB005982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.215   0.888  -2.464  0.00  0.00    -0.298 NA
ATOM      2  C   LIG    1        0.709   1.111  -3.571  0.00  0.00    +0.086 C 
ATOM      3  C   LIG    1        2.152   0.941  -3.087  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1        2.409   1.551  -1.698  0.00  0.00    +0.079 C 
ATOM      5  C   LIG    1        1.303   2.536  -1.306  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.108   1.953  -1.450  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.676   0.563  -0.644  0.00  0.00    -0.290 N 
ATOM      8  C   LIG    1        3.510   0.823   0.435  0.00  0.00    +0.248 C 
ATOM      9  O   LIG    1        4.194   1.818   0.591  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.414  -0.316   1.371  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.452  -1.185   0.828  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        2.102  -2.370   1.454  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        2.738  -2.691   2.648  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.700  -1.824   3.194  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        4.060  -0.611   2.567  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        1.888  -0.638  -0.443  0.00  0.00    +0.144 C 
BRANCH  15  17
ATOM     17  C   LIG    1        5.095   0.201   3.271  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        5.636  -0.222   4.290  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        5.446   1.424   2.797  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        6.169   1.933   3.284  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.085   1.832   1.936  0.00  0.00    +0.145 HD
ENDBRANCH  15  17
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1       -1.599   0.715  -2.932  0.00  0.00    +0.119 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -4.235  -0.798   0.221  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -3.210  -1.582  -0.336  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -2.363  -1.098  -1.344  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.519   0.194  -1.850  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.542   0.985  -1.329  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.382   0.492  -0.319  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.699  -0.300   2.125  0.00  0.00    +0.129 C 
ATOM     30  N   LIG    1       -5.092  -1.278   1.220  0.00  0.00    -0.336 N 
ATOM     31  C   LIG    1       -4.850  -2.599   1.797  0.00  0.00    +0.129 C 
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5