REMARK  Name = BDB023867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.114  -0.998   3.462  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.379  -0.404   2.893  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.318   0.090   1.592  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.189  -0.258   0.698  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.247   0.484  -0.599  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.434   0.437  -1.776  0.00  0.00    +0.101 A 
ATOM      7  N   LIG    1       -0.886   1.339  -2.675  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.961   1.916  -2.111  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.237   1.404  -0.885  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.365   1.739   0.018  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.574   0.557   0.981  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.405  -0.364   3.575  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.705  -0.432  -2.078  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        1.474  -1.184  -1.106  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        2.557  -1.940  -1.568  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        3.141  -2.532  -0.478  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        2.396  -2.122   0.600  0.00  0.00    +0.090 A 
ATOM     18  C   LIG    1        2.929  -2.038  -2.900  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        2.220  -1.370  -3.819  0.00  0.00    +0.019 A 
ATOM     20  N   LIG    1        1.365  -1.313   0.205  0.00  0.00    -0.227 NA
ATOM     21  C   LIG    1        1.100  -0.558  -3.377  0.00  0.00    +0.015 A 
BRANCH  17  22
ATOM     22  C   LIG    1        2.631  -2.497   1.977  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.656  -1.910   2.743  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1        4.581  -0.869   2.173  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        3.824  -2.321   4.077  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.980  -3.281   4.657  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        3.171  -3.678   6.091  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        1.958  -3.843   3.886  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        1.785  -3.453   2.557  0.00  0.00    +0.010 A 
ENDBRANCH  17  22
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.654   2.990  -2.811  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.849   2.707  -4.303  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.628   3.838  -4.966  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -3.544   5.070  -4.243  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.235   5.307  -3.733  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -1.946   4.337  -2.595  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3