REMARK  Name = BDB027531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.550  -2.402   1.345  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.469  -1.569   1.555  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.448  -0.108   1.491  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.021   0.257   1.207  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.770  -0.906   1.867  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.878  -2.108   1.591  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.441  -3.615   1.184  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.493  -0.730   1.192  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -4.680  -0.517   2.315  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.390  -1.054   2.376  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.902  -1.803   1.303  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.712  -2.045   0.193  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.001  -1.502   0.136  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.718  -0.170   0.206  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1       -6.780  -0.155   1.213  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -7.018   0.366   2.045  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.592  -0.617  -0.927  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.563   0.508   1.772  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.997   0.509   0.557  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        1.247   0.308  -0.234  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        1.008  -0.527  -0.760  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.496   0.721  -0.660  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        2.918   0.182  -1.810  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        4.120   0.549  -2.276  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        4.938   1.457  -1.602  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.202   1.830  -2.110  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        6.656   1.286  -3.308  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        5.843   0.378  -3.984  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.408   1.945  -0.420  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        4.592   0.019  -3.468  0.00  0.00    +0.032 A 
ATOM     31  N   LIG    1        3.205   1.591   0.068  0.00  0.00    -0.222 NA
BRANCH  27  32
ATOM     32  O   LIG    1        7.849   1.552  -3.916  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        8.711   2.482  -3.273  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6