REMARK  Name = BDB054656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.383  -1.615   0.775  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.413  -1.032  -0.018  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.354  -1.932  -0.332  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.007  -3.068   0.318  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.825  -2.908   0.995  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.541   0.345  -0.488  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.783   0.605  -1.841  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.861   1.923  -2.300  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.709   2.996  -1.417  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -1.486   2.740  -0.064  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.407   1.421   0.399  0.00  0.00    +0.013 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -1.799   4.230  -1.998  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -1.718   5.356  -1.133  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  14
ATOM     14  C   LIG    1       -2.822  -4.232   0.239  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -4.004  -4.197  -0.518  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.818  -5.328  -0.608  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.460  -6.500   0.054  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.289  -6.544   0.808  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.469  -5.415   0.904  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   1  22
ATOM     20  N   LIG    1        1.429  -0.079   0.542  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        0.976   0.129  -0.338  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        0.865  -1.080   1.311  0.00  0.00    +0.252 C 
ATOM     23  O   LIG    1        1.343  -1.547   2.338  0.00  0.00    -0.270 OA
BRANCH  20  27
ATOM     24  C   LIG    1        4.860   2.299   1.209  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.088   2.442   0.059  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        2.958   1.637  -0.134  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        2.585   0.678   0.818  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        3.358   0.541   1.968  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        4.487   1.347   2.159  0.00  0.00    +0.047 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.415   3.980   0.574  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        5.981   3.015   1.523  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 6