REMARK  Name = BDB059727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.205  -0.275  -0.088  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1       -0.293  -0.371   1.395  0.00  0.00    +0.265 A 
ATOM      3  O   LIG    1        0.628  -0.792   2.088  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -1.463   0.034   1.984  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1       -1.498  -0.036   2.994  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.579   0.468   1.262  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -2.530   0.504  -0.131  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.663   0.933  -0.826  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.784   1.307  -0.102  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -4.852   1.280   1.248  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1       -3.747   0.859   1.902  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1       -1.291   0.085  -0.805  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  14
ATOM     13  N   LIG    1        2.239  -0.076  -0.520  0.00  0.00    -0.301 N 
ATOM     14  C   LIG    1        1.019  -0.650  -0.844  0.00  0.00    +0.255 C 
ATOM     15  O   LIG    1        0.885  -1.410  -1.810  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.446   0.944   0.501  0.00  0.00    +0.132 C 
BRANCH  13  18
ATOM     17  C   LIG    1        4.003  -1.794  -0.306  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        3.445  -0.640  -1.125  0.00  0.00    +0.104 C 
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH  12  19
ATOM     19  O   LIG    1       -1.347   0.092  -2.189  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1       -0.600  -0.449  -2.529  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
TORSDOF 3