REMARK  Name = BDB062857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.486   3.014   0.468  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.020   2.036   0.972  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -0.340   1.005   1.586  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -0.869   0.265   2.033  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.493   1.955   1.055  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.248   0.896   0.569  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -2.939  -0.292  -0.213  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -4.107  -1.060  -0.372  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.212  -0.340   0.286  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1       -6.369  -0.694   0.361  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1       -4.157  -2.252  -1.070  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.973  -2.693  -1.656  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.796  -1.932  -1.542  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.778  -0.725  -0.827  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.631   0.899   0.841  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -5.292   1.909   1.520  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -4.529   2.988   1.955  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.142   3.011   1.728  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.102   1.041   1.778  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.883   0.345   0.659  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.880   1.206  -0.581  0.00  0.00    +0.310 C 
ATOM     22  O   LIG    1        1.308   0.939  -1.626  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        2.563   2.358  -0.448  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        2.333   2.854  -1.263  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1        3.320   0.043   1.112  0.00  0.00    +0.051 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.066  -0.851   0.149  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        4.976  -0.306  -0.766  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.652  -1.131  -1.667  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.426  -2.506  -1.661  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.522  -3.058  -0.755  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.844  -2.235   0.146  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7