REMARK  Name = BDB009149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.570  -0.317  -1.350  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.246  -0.787  -1.295  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.805  -0.113  -1.941  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -0.509   1.042  -2.676  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.798   1.522  -2.745  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.827   0.850  -2.084  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.506  -1.033   0.956  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        3.471  -0.367   0.280  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        2.655  -1.029  -0.655  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        2.901  -2.387  -0.903  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.927  -3.058  -0.238  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.725  -2.383   0.688  0.00  0.00    +0.023 A 
BRANCH   7  15
ATOM     13  C   LIG    1        6.888   0.392   3.513  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.323  -0.711   2.652  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        5.263  -0.278   1.877  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        4.999   0.695   1.973  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.815  -1.834   2.672  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -2.222  -0.663  -1.857  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -2.583  -1.399  -3.152  0.00  0.00    +0.019 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.256   0.427  -1.500  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.473   0.787  -0.059  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -2.682   0.120   1.034  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.806   0.817   2.393  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.247   1.221   2.675  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.771   2.164   1.591  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.401   1.724   0.201  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.129   2.381  -0.912  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -5.969   3.253  -0.712  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.802   1.959  -2.171  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.290   2.394  -2.947  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.892   1.001  -2.482  0.00  0.00    -0.175 NA
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4