REMARK  Name = BDB043073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.583   0.028  -0.456  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -2.127  -0.293  -0.083  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.855  -0.811   1.004  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.159   0.050  -1.008  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.400   0.396  -2.408  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.007   0.777  -2.916  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.929  -0.153  -2.141  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.345   0.411  -2.033  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.070  -0.114  -0.792  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.355   0.113   0.473  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.948   0.517   0.304  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.425   1.508  -2.686  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.850   2.303  -1.456  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.240  -0.322  -0.777  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.816   1.539  -0.545  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.762  -0.876   0.327  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.444  -0.569   0.562  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.979  -0.901   1.403  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -6.324  -0.621  -0.738  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.468  -1.582   1.505  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -6.090  -3.061   1.496  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.399  -0.129   1.755  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.938  -1.463   1.387  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -8.174  -1.621   0.402  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.066   1.007   1.402  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.172   0.305   2.217  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.478   0.082   1.495  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.867  -1.208   1.114  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.074  -1.416   0.441  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        7.909  -0.338   0.131  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        9.220  -0.567  -0.559  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        7.530   0.950   0.528  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        6.324   1.159   1.200  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6