REMARK  Name = BDB058162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463   0.104   0.531  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.987   0.261   1.795  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.394   0.331   2.607  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.331   0.228   2.068  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1        3.764   0.331   3.210  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.213   0.052   0.904  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        3.604  -0.095  -0.344  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        4.418  -0.268  -1.465  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.810  -0.292  -1.338  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.403  -0.145  -0.083  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.604   0.028   1.046  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        2.209  -0.078  -0.513  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -2.835   0.142   0.097  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -2.014  -0.588  -0.777  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -0.622  -0.586  -0.627  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -0.019   0.134   0.409  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -0.819   0.871   1.285  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.210   0.867   1.131  0.00  0.00    +0.007 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -4.908  -0.294  -1.379  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -4.358   0.165  -0.022  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -4.992  -0.673   1.094  0.00  0.00    +0.046 C 
BRANCH  20  22
ATOM     22  O   LIG    1       -4.806   1.516   0.148  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -4.231   2.076  -0.402  0.00  0.00    +0.211 HD
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH   1  16
TORSDOF 3