REMARK  Name = BDB009228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.747   0.032   0.038  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.327  -0.170   0.916  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.501   0.591   0.799  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.593   1.540  -0.228  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.537   1.725  -1.123  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.631   0.972  -0.995  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.869  -1.932   0.632  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.985  -0.782   0.224  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        3.161  -0.101  -0.042  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.063   0.889  -0.197  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.493  -0.600  -0.002  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        5.593   0.307  -0.175  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        6.917  -0.212  -0.144  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        8.017   0.659  -0.307  0.00  0.00    +0.125 A 
ATOM     15  C   LIG    1        7.849   2.027  -0.504  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.566   2.551  -0.541  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        7.115  -1.591   0.050  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        6.043  -2.459   0.210  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        5.461   1.709  -0.378  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.743  -1.966   0.182  0.00  0.00    +0.024 A 
BRANCH  14  21
ATOM     21  O   LIG    1        9.290   0.146  -0.275  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        9.927   0.873  -0.364  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -2.656   0.358   1.748  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.616  -0.715   1.236  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.942  -0.319   0.660  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.429   1.103   0.729  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.908   1.266   0.361  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.276   0.410  -0.844  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.002  -1.070  -0.564  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.672  -1.301   0.101  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -5.187  -2.706   0.136  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -5.824  -3.622  -0.376  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.008  -2.914   0.800  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -3.650  -3.864   0.828  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.204  -1.947   1.315  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5