REMARK  Name = BDB062866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.243  -0.394   0.169  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -0.005   0.029  -0.719  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.486  -1.487   0.580  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.184  -2.229   1.505  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.677  -1.780  -0.238  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.739  -0.900  -0.393  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.071   0.393   0.188  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.276   0.854  -0.372  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.758  -0.172  -1.315  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.766  -0.127  -1.987  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        4.872   2.056  -0.037  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.228   2.837   0.920  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.034   2.393   1.515  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.455   1.165   1.159  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.769  -1.268  -1.280  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.807  -2.462  -1.980  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.752  -3.350  -1.782  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.695  -3.013  -0.920  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.577  -0.134   0.690  0.00  0.00    +0.104 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.599  -0.717  -0.273  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1       -2.938  -0.085  -1.480  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.867  -0.662  -2.349  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.459  -1.882  -2.031  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.118  -2.531  -0.848  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.191  -1.956   0.023  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -1.742   1.370   0.969  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.066   1.699   1.660  0.00  0.00    +0.122 C 
BRANCH  27  29
ATOM     28  O   LIG    1       -2.355   4.036   1.706  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1       -3.153   3.162   1.997  0.00  0.00    +0.305 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -4.271   3.453   2.689  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -4.217   4.420   2.842  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 7