REMARK  Name = BDB009026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131  -1.006   2.559  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.042   0.003   2.234  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.316   0.048   2.829  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.652  -0.915   3.790  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.748  -1.920   4.125  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.496  -1.966   3.510  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.199   0.615   0.435  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.722  -0.336   1.005  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        1.154  -1.126   1.990  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.721  -1.892   2.334  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.131  -0.790   0.675  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.762   0.072  -0.415  0.00  0.00    +0.089 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.167  -0.392  -0.744  0.00  0.00    +0.164 C 
ATOM     14  O   LIG    1        5.685  -1.349  -0.171  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1        5.935   0.341  -1.796  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        5.402   1.437  -2.487  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        6.162   2.088  -3.463  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.454   1.651  -3.755  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.991   0.562  -3.072  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        7.235  -0.091  -2.096  0.00  0.00    +0.011 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.297   1.147   2.490  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.429   1.442   0.999  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.044   0.424   0.090  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.596  -0.866   0.630  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.495  -1.603  -0.367  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.872  -1.616  -1.758  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -4.642  -0.192  -2.269  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.087   0.730  -1.219  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -3.568   2.037  -1.696  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -3.598   2.350  -2.881  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -3.075   2.872  -0.731  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -2.701   3.764  -1.036  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -2.987   2.597   0.597  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7