REMARK  Name = BDB027063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.115   0.184   0.064  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.133   1.161  -1.104  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.487   2.509  -0.935  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.488   3.386  -2.021  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.123   2.932  -3.287  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.749   1.603  -3.467  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.749   0.723  -2.383  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.123   0.408   0.859  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.081   1.190   1.489  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.499  -0.752   1.679  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.225  -1.866   0.901  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.301  -0.886  -0.167  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.234  -0.306  -0.862  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.919  -0.624  -0.514  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.649  -1.526   0.525  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.723  -2.115   1.206  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.040  -1.802   0.858  0.00  0.00    +0.013 A 
BRANCH  12  21
ATOM     18  C   LIG    1        8.314   1.121  -1.257  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1        6.963   0.677  -1.026  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1        6.244   1.382  -0.935  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        6.720  -0.576  -0.498  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        7.601  -1.396  -0.269  0.00  0.00    -0.270 OA
ENDBRANCH  12  21
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  23
ATOM     23  C   LIG    1       -2.377   0.324   0.963  0.00  0.00    +0.186 C 
ATOM     24  O   LIG    1       -2.309   0.930   2.039  0.00  0.00    -0.290 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.641  -0.275   0.512  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1       -4.886  -0.311   1.229  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -5.819  -0.972   0.427  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -7.146  -1.187   0.821  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1       -7.535  -0.713   2.076  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.633  -0.050   2.902  0.00  0.00    +0.001 A 
ATOM     31  N   LIG    1       -5.177  -1.322  -0.735  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1       -5.616  -1.807  -1.506  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1       -5.311   0.157   2.492  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -3.869  -0.915  -0.695  0.00  0.00    +0.095 A 
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 8