REMARK  Name = BDB026808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.796   0.186  -0.437  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.990   1.547   0.225  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.279   2.659  -0.588  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.474   3.925  -0.030  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.383   4.101   1.348  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.097   3.013   2.168  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.903   1.746   1.611  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.190  -0.870   0.421  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.355  -1.776  -0.021  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.262  -0.701   0.600  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.095  -1.207  -0.589  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        6.327  -0.787   0.199  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.603   0.276  -0.340  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.235   0.136  -0.599  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.575  -1.069  -0.327  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.305  -2.130   0.219  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        5.670  -1.987   0.476  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        8.378   0.415   0.225  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.662  -0.783   0.499  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       -2.110  -0.335  -1.081  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -2.135  -0.499  -2.307  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.296  -0.648  -0.268  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -4.622  -0.930  -0.752  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -5.437  -1.173   0.355  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -6.800  -1.478   0.246  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -7.352  -1.538  -1.036  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.570  -1.302  -2.163  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -4.647  -1.051   1.471  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -4.973  -1.176   2.420  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -5.209  -0.998  -2.035  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -3.362  -0.749   1.110  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8