REMARK  Name = BDB049358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.840  -1.023   0.445  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        2.811  -1.839  -0.045  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.627  -1.240  -0.499  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.500  -1.826  -0.995  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.363  -0.857  -1.252  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        0.229   0.374  -1.005  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.486   0.138  -0.464  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.496   0.977   0.027  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.673   0.367   0.481  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.283  -0.797   3.401  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.719  -1.523   2.186  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.071  -1.613   0.925  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.907  -2.414   0.177  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.895  -2.925  -1.207  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.974  -2.778   0.938  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.863  -2.218   2.196  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.778  -1.192  -1.657  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.798  -1.078  -0.504  0.00  0.00    +0.159 C 
ATOM     19  O   LIG    1       -3.952  -0.407  -1.071  0.00  0.00    -0.371 OA
ATOM     20  C   LIG    1       -3.871  -0.538  -2.493  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1       -2.399  -0.423  -2.803  0.00  0.00    +0.042 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -3.204  -2.402   0.132  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.551  -2.781   0.257  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.905  -3.989   0.864  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.920  -4.834   1.366  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.581  -4.468   1.268  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.227  -3.260   0.662  0.00  0.00    +0.006 A 
ENDBRANCH  18  22
ENDBRANCH   5  17
BRANCH   6  28
ATOM     28  C   LIG    1       -0.249   1.716  -1.302  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.284   2.244  -0.303  0.00  0.00    +0.106 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -1.679   3.642  -0.557  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1       -2.858   4.029   0.255  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -2.494   4.787   1.542  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -1.771   6.001   1.299  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -1.057   5.993   0.056  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -0.563   4.589  -0.324  0.00  0.00    +0.112 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6