REMARK  Name = BDB017301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -1.197   0.862  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.321  -2.419   0.978  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.135  -0.053  -0.202  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        5.144   0.838   0.271  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        3.795   0.390   0.436  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        3.491  -0.964   0.155  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.179  -1.446   0.309  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.138  -0.609   0.726  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.421   0.725   1.010  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.498  -1.829  -0.283  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.726   1.214   0.862  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.805  -1.380  -0.465  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.376  -0.344  -0.982  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.389   0.476  -0.365  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  C   LIG    1        5.537   2.279   0.557  0.00  0.00    +0.157 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.274   3.170  -0.583  0.00  0.00    +0.067 C 
ATOM     17  N   LIG    1        5.052   3.895  -1.463  0.00  0.00    -0.196 NA
ENDBRANCH  15  16
ENDBRANCH   4  15
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.456  -0.277   0.881  0.00  0.00    +0.077 C 
ATOM     19  C   LIG    1       -2.777  -0.998   1.265  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.871   0.086   1.356  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -3.957   0.953   0.090  0.00  0.00    +0.085 C 
ATOM     22  N   LIG    1       -2.653   1.550  -0.260  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1       -1.636   0.492  -0.435  0.00  0.00    +0.096 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.788   2.312  -1.514  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -1.551   3.231  -1.714  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -2.544   4.330  -2.149  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.588   3.619  -1.263  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
BRANCH  19  28
ATOM     28  C   LIG    1       -3.200  -2.126   0.283  0.00  0.00    +0.007 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.633  -3.429   0.991  0.00  0.00    -0.017 C 
ATOM     30  C   LIG    1       -4.891  -3.247   1.841  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -3.869  -4.530  -0.047  0.00  0.00    +0.007 C 
ENDBRANCH  28  29
ENDBRANCH  19  28
ENDBRANCH   1  18
TORSDOF 8