REMARK  Name = BDB048321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.858   0.962   0.490  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1        0.513   0.749   0.182  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.198  -0.292  -0.630  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1        2.657  -0.239  -0.399  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        3.235   1.123  -0.367  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        2.647   1.987   0.773  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1        3.350  -1.335  -0.916  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        2.818  -2.119  -1.699  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.183   1.781   0.798  0.00  0.00    +0.044 A 
ATOM     10  N   LIG    1        0.246   2.525   1.431  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        0.366   3.358   1.998  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -0.997   2.056   1.251  0.00  0.00    -0.158 NA
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        4.714  -1.700  -0.430  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1        5.949  -0.913  -0.781  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        5.504  -1.024   0.656  0.00  0.00    +0.013 C 
ENDBRANCH   7  13
BRANCH   1  16
ATOM     16  N   LIG    1       -1.830   0.133   0.036  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1       -1.540  -0.664  -0.516  0.00  0.00    +0.154 HD
BRANCH  16  21
ATOM     18  C   LIG    1       -6.159  -2.069  -0.887  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.390  -0.933  -0.283  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -3.990  -0.885  -0.389  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.236   0.151   0.194  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -3.928   1.137   0.901  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.320   1.095   1.027  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.048   0.062   0.443  0.00  0.00    +0.003 A 
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 3