REMARK  Name = BDB000127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.243  -0.385   0.397  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.409  -0.850   1.284  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -6.347  -0.194   0.486  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -5.382   0.258   1.399  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -4.030   0.090   1.096  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -3.621  -0.525  -0.116  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -4.592  -0.953  -1.029  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -4.284  -1.518  -2.199  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.983  -1.657  -2.476  0.00  0.00    +0.223 A 
ATOM     10  N   LIG    1       -1.967  -1.296  -1.690  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -2.283  -0.743  -0.505  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -5.934  -0.786  -0.713  0.00  0.00    +0.078 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -8.663  -0.455  -0.049  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.658  -0.006   0.849  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -5.857   0.837   2.548  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -4.915   1.429   3.431  0.00  0.00    +0.277 C 
ENDBRANCH   4  15
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.140  -0.260   0.139  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        0.650   0.110  -1.107  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.026   0.293  -1.301  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.924   0.139  -0.241  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.422  -0.196   1.014  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.045  -0.379   1.202  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        4.293   0.332  -0.520  0.00  0.00    -0.282 N 
ATOM     24  H   LIG    1        4.512   0.578  -1.476  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        5.344   0.310   0.379  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1        5.270   0.188   1.596  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        6.691   0.497  -0.232  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.653   1.222   0.482  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.924   1.419  -0.060  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.241   0.884  -1.308  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.292   0.143  -2.014  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.018  -0.056  -1.477  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 6