REMARK  Name = BDB050285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.202   0.198  -2.007  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.031  -0.266  -1.385  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.159   0.477  -1.425  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.163   1.702  -2.106  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.996   2.173  -2.727  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.172   1.426  -2.678  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.367  -0.021  -0.765  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        1.559  -1.329  -0.530  0.00  0.00    -0.078 NA
ATOM      9  O   LIG    1        2.784  -1.437   0.094  0.00  0.00    -0.354 OA
ATOM     10  C   LIG    1        3.342  -0.203   0.245  0.00  0.00    +0.168 A 
ATOM     11  C   LIG    1        2.478   0.726  -0.286  0.00  0.00    +0.081 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.646  -0.147   0.898  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.274   1.086   1.132  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.523   1.151   1.756  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.165  -0.018   2.156  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.558  -1.251   1.933  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.309  -1.315   1.309  0.00  0.00    +0.011 A 
ENDBRANCH  10  12
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1       -3.476  -0.615  -1.932  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.291  -0.422  -0.637  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.733   1.053  -0.499  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1       -4.378   1.821   0.382  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.629   1.437  -1.447  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1       -5.893   0.739  -2.074  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1       -3.546  -0.990   0.437  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -3.396  -1.771   2.682  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1       -4.275  -1.079   1.659  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8