REMARK  Name = BDB047971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.732   0.390   0.452  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.172   1.499   0.939  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1        1.522   0.927   0.647  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        1.375  -0.334   0.063  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1        2.488  -1.066  -0.312  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        3.753  -0.514  -0.084  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.902   0.754   0.508  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        2.772   1.487   0.878  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.054  -0.665  -0.058  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -0.633  -1.896  -0.603  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -0.514  -3.099   0.104  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -1.040  -4.280  -0.422  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.684  -4.268  -1.659  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.803  -3.075  -2.370  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.278  -1.892  -1.846  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   1  16
ATOM     16  C   LIG    1       -2.198   0.517   0.589  0.00  0.00    +0.336 C 
ATOM     17  O   LIG    1       -3.009  -0.375   0.410  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.500   1.792   0.952  0.00  0.00    -0.462 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.523   2.456  -0.202  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -3.897   2.074   1.126  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   7  21
ATOM     21  O   LIG    1        5.202   1.155   0.663  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1        5.416   2.429   1.257  0.00  0.00    +0.277 C 
ENDBRANCH   7  21
TORSDOF 5