REMARK  Name = BDB054644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.395  -0.710  -0.378  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -0.820   0.452   0.328  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -1.998   0.248   0.936  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.393  -0.992   0.562  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.449  -1.594  -0.230  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.159   1.749   0.453  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        0.315   2.424  -0.680  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        0.978   3.645  -0.547  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.161   4.206   0.717  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        0.676   3.551   1.848  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.015   2.328   1.717  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -3.641  -1.522   0.996  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.473  -0.743   1.816  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -5.701  -1.244   2.254  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.108  -2.522   1.877  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.288  -3.301   1.063  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.057  -2.807   0.621  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  O   LIG    1        0.784  -1.847  -2.034  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        0.817  -1.016  -1.134  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        1.942  -0.337  -0.707  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.839   0.247   0.112  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.239  -0.375  -1.258  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.595  -1.126  -2.379  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.908  -1.099  -2.861  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.874  -0.319  -2.230  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.528   0.437  -1.113  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.217   0.409  -0.631  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 4