REMARK  Name = BDB022388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.979   3.150   0.296  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.710   1.734   0.331  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.505   1.137   0.484  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.722   1.210  -0.468  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.571  -0.165  -0.381  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.551  -0.793  -1.208  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.323  -1.197  -0.429  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.349  -1.962   0.745  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1       -0.146  -2.277   1.390  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.083  -1.859   0.878  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.141  -1.101  -0.294  0.00  0.00    -0.017 A 
ATOM     12  O   LIG    1       -2.442  -2.445   1.408  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.705  -2.418   0.754  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1       -0.068  -0.783  -0.933  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -4.253  -1.000   0.610  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -3.035   1.920  -1.198  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.423  -0.653  -0.845  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.238   0.245  -0.117  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.156   0.925   1.122  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1        4.226   1.683   1.375  0.00  0.00    -0.179 NA
ATOM     21  N   LIG    1        4.996   1.507   0.285  0.00  0.00    -0.267 N 
ATOM     22  C   LIG    1        6.258   2.200   0.189  0.00  0.00    +0.173 C 
ATOM     23  C   LIG    1        4.459   0.656  -0.652  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        4.922   0.220  -1.900  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        4.109  -0.660  -2.617  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        2.885  -1.088  -2.103  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
TORSDOF 1