REMARK  Name = BDB054653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.199   1.076  -0.019  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -1.359   0.327   0.334  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -2.362   1.277   0.398  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -1.818   2.486   0.043  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -0.501   2.361  -0.245  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.821  -0.311  -0.446  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        3.222   0.453  -1.450  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.914   0.922  -1.305  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.183   0.623  -0.151  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.792  -0.127   0.864  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.102  -0.596   0.715  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        5.772  -1.452   0.291  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.099  -0.713  -0.720  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  C   LIG    1       -2.470   3.748  -0.048  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -3.835   3.886   0.243  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.448   5.138   0.144  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.710   6.255  -0.244  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.353   6.125  -0.534  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -1.733   4.878  -0.437  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   2  20
ATOM     20  C   LIG    1       -1.563  -1.092   0.614  0.00  0.00    +0.252 C 
ATOM     21  N   LIG    1       -0.695  -1.933  -0.055  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -0.064  -1.505  -0.719  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -2.472  -1.446   1.357  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.595  -3.336   0.048  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -1.381  -4.120   0.894  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -1.206  -5.507   0.938  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -0.244  -6.121   0.139  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        0.547  -5.348  -0.705  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        0.373  -3.962  -0.750  0.00  0.00    +0.023 A 
ENDBRANCH  21  24
ENDBRANCH   2  20
TORSDOF 5