REMARK  Name = BDB039074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.908   0.590   0.685  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.844  -0.152   0.205  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.568   0.536   0.046  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.390  -0.372  -0.204  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.541  -1.772  -0.347  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.427  -2.597  -0.565  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.138  -2.071  -0.674  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.005  -0.684  -0.550  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.082   0.165  -0.591  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.623   1.451  -0.434  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.681   1.464  -0.253  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.910  -2.391  -0.206  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.089   0.157  -0.324  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.018  -1.395  -0.537  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.807   1.731   1.120  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.472   2.764  -0.442  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.355   3.615   0.849  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -1.377   4.861  -0.061  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.821   3.960  -1.184  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  21
ATOM     20  C   LIG    1        8.208   0.648   1.121  0.00  0.00    +0.282 C 
ATOM     21  O   LIG    1        7.088  -0.086   0.626  0.00  0.00    -0.454 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1       -2.458  -0.264  -0.782  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.092  -0.815   0.504  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.330  -1.645   0.201  0.00  0.00    -0.032 A 
ATOM     25  C   LIG    1       -4.362  -3.002   0.559  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.484  -3.784   0.278  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.586  -3.222  -0.361  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.569  -1.876  -0.718  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.449  -1.091  -0.440  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -3.409   0.326   1.448  0.00  0.00    +0.314 C 
ATOM     31  O   LIG    1       -3.977   1.368   1.162  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -3.003   0.092   2.712  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -3.266   0.892   3.213  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 7