REMARK  Name = BDB060949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.563  -2.422  -0.271  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.284  -3.059  -0.449  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -0.187  -4.359   0.116  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        0.854  -5.211  -0.249  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.799  -4.814  -1.184  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.828  -3.502  -1.652  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.845  -3.147  -2.552  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        3.014  -1.834  -2.962  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.228  -0.850  -2.389  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        1.222  -1.181  -1.455  0.00  0.00    -0.002 A 
ATOM     11  C   LIG    1       -1.148  -4.847   1.016  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -2.282  -4.112   1.323  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.878  -2.553  -1.189  0.00  0.00    -0.003 A 
ATOM     14  C   LIG    1       -2.509  -2.925   0.651  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -2.091  -1.348  -1.208  0.00  0.00    +0.268 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.450  -0.189  -0.451  0.00  0.00    -0.456 OA
BRANCH  16  18
ATOM     17  O   LIG    1       -3.289   0.718  -2.382  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1       -3.068   0.771  -1.182  0.00  0.00    +0.339 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.487   1.907  -0.319  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1       -3.061   2.038   1.009  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -3.488   3.123   1.778  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.340   4.079   1.228  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.766   3.957  -0.094  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.340   2.875  -0.867  0.00  0.00    +0.015 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH  10  25
ATOM     25  C   LIG    1        0.661  -0.024  -0.642  0.00  0.00    +0.268 C 
BRANCH  25  26
ATOM     26  O   LIG    1        1.760   0.760  -0.145  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.388   1.809   0.624  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        0.241   2.123   0.899  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  C   LIG    1        2.583   2.560   1.095  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        2.378   3.745   1.815  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        3.469   4.484   2.279  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.767   4.043   2.028  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.979   2.863   1.315  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        3.891   2.121   0.849  0.00  0.00    +0.015 A 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 8