REMARK  Name = BDB014745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.487  -1.895  -4.205  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.165  -1.491  -3.606  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.179  -0.963  -2.320  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.876  -0.493  -1.810  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.925  -0.300  -0.338  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.902  -0.012   0.608  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.417   0.082   1.840  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.727  -0.136   1.687  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.087  -0.368   0.401  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.427  -0.671  -0.145  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.399  -0.432  -1.670  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.123  -1.640  -4.245  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.658  -0.155   2.835  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -3.517   0.799   3.999  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -4.680   0.934   3.062  0.00  0.00    +0.029 C 
ENDBRANCH   8  13
BRANCH   6  16
ATOM     16  N   LIG    1        0.395   0.128   0.236  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1        0.617  -0.016  -0.741  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.559   0.436   0.980  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        2.797   0.466   0.308  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        3.998   0.764   0.975  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1        3.955   1.042   2.344  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.741   1.014   3.028  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.557   0.713   2.350  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.264   0.795   0.264  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.591   0.009  -0.823  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        6.870   0.340  -1.166  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.653  -0.219  -2.241  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.408   1.289  -0.381  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.432   1.562   0.490  0.00  0.00    +0.142 A 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4