REMARK  Name = BDB057782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.098   0.631   0.952  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1       -0.802   1.600   1.600  0.00  0.00    +0.085 C 
ATOM      3  C   LIG    1       -2.287   1.236   1.500  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -2.547  -0.179   2.044  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -1.597  -1.184   1.377  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1       -0.141  -0.720   1.482  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.021   0.718  -0.516  0.00  0.00    +0.087 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.130  -0.040  -1.252  0.00  0.00    +0.056 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.530   0.387  -0.820  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  O   LIG    1        3.470  -0.303  -1.648  0.00  0.00    -0.492 OA
BRANCH  10  14
ATOM     11  C   LIG    1        7.575   0.261  -1.176  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        7.052  -0.592  -2.150  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        5.668  -0.748  -2.269  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.796  -0.058  -1.423  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        5.320   0.794  -0.450  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        6.706   0.954  -0.327  0.00  0.00    +0.022 A 
BRANCH  11  18
ATOM     17  N   LIG    1       10.141   0.561  -0.942  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        8.993   0.427  -1.048  0.00  0.00    +0.099 C 
ENDBRANCH  11  18
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -4.031  -0.612   1.984  0.00  0.00    +0.148 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.637  -0.716   0.598  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1       -5.242   0.386  -0.026  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.784   0.275  -1.308  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.732  -0.941  -1.985  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.144  -2.048  -1.378  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.602  -1.937  -0.095  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  O   LIG    1       -4.813   0.294   2.769  0.00  0.00    -0.387 OA
ATOM     27  H   LIG    1       -4.531   0.187   3.693  0.00  0.00    +0.210 HD
ENDBRANCH  19  26
ENDBRANCH   4  19
TORSDOF 9