REMARK  Name = BDB026955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.675   1.450   0.695  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.542   2.498   1.382  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.008   3.613   0.666  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.793   4.582   1.293  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.114   4.455   2.643  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.645   3.363   3.370  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.860   2.393   2.746  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.722   1.580   1.185  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.972   2.568   1.192  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.672   0.838   0.351  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.089   0.951   0.931  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.961  -1.116  -1.557  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.798   0.264  -1.672  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.872   0.934  -0.864  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        4.101   0.233   0.072  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.266  -1.152   0.181  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        5.190  -1.818  -0.628  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.651  -1.216  -3.225  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.825  -1.888  -2.283  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.244   0.013   0.917  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.795  -0.733   1.792  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.348  -0.441   0.051  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.962  -1.743   0.043  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.967  -1.742  -0.928  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.775  -2.862  -1.208  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -4.525  -4.019  -0.446  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.534  -4.054   0.530  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.863  -2.890  -2.242  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1       -3.969  -0.486  -1.488  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -4.601  -0.189  -2.218  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -2.749  -2.926   0.782  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.003   0.299  -0.918  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8