REMARK  Name = BDB001979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851  -1.044   0.252  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -1.932  -0.158   0.340  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.212  -0.656   0.046  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -4.379   0.262   0.126  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1       -4.108   1.562   0.493  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1       -4.912   2.177   0.540  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -2.858   2.040   0.781  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1       -5.520  -0.116  -0.115  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -3.403  -1.998  -0.310  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.311  -2.864  -0.373  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -1.780   1.252   0.724  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.032  -2.390  -0.085  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        0.443  -0.616   0.575  0.00  0.00    -0.422 OA
BRANCH  13  15
ATOM     14  O   LIG    1        0.825  -0.277  -1.701  0.00  0.00    -0.245 OA
ATOM     15  C   LIG    1        1.186  -0.256  -0.534  0.00  0.00    +0.344 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.541   0.192  -0.107  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        2.957   0.181   1.232  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.241   0.616   1.571  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.114   1.062   0.579  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.708   1.075  -0.754  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.426   0.642  -1.098  0.00  0.00    +0.015 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 3