REMARK  Name = BDB054647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.906   0.805   0.148  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.654  -0.408   0.169  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.964  -0.175   0.010  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.096   1.172  -0.021  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.874   1.790   0.061  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.180  -1.781   0.334  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.581  -2.774  -0.570  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.104  -4.080  -0.440  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.229  -4.403   0.596  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.163  -3.425   1.509  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.315  -2.119   1.383  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -4.379   1.778  -0.138  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -5.521   0.965  -0.214  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.789   1.538  -0.329  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.927   2.924  -0.369  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.799   3.738  -0.293  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.526   3.172  -0.177  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     18  N   LIG    1        1.328   0.073  -0.282  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        0.858  -0.719  -0.701  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        0.526   1.081   0.218  0.00  0.00    +0.252 C 
ATOM     21  O   LIG    1        0.923   2.155   0.656  0.00  0.00    -0.270 OA
BRANCH  18  25
ATOM     22  C   LIG    1        5.540  -0.264  -0.426  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.706  -1.259  -0.935  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.316  -1.122  -0.877  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        2.736   0.017  -0.307  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        3.572   1.009   0.204  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        4.967   0.871   0.145  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.767   0.472  -0.048  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.877  -0.520  -0.545  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 5