REMARK  Name = BDB047547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.194   0.457  -1.534  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.026  -0.403  -1.128  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.939   0.392  -0.746  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.724  -0.168  -0.367  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.598  -1.558  -0.371  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.684  -2.352  -0.776  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.257   1.848  -0.877  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.898  -1.781  -1.170  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.789   1.825  -0.933  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.623   0.024  -1.142  0.00  0.00    +0.105 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.191  -0.806  -2.277  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1       -6.229  -2.022  -2.359  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -6.681  -0.042  -3.276  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -7.005  -0.694  -3.933  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  C   LIG    1       -5.837  -0.739   0.183  0.00  0.00    +0.015 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -5.834  -0.741   2.703  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.442   0.024   1.446  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   5  18
ATOM     18  O   LIG    1        0.519  -2.271  -0.029  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.690  -1.558   0.380  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.527  -1.152  -0.831  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.661  -0.270  -0.460  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.905   1.040  -0.811  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.208   2.044  -1.633  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.076   1.422  -0.219  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.491   0.309   0.467  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        4.674  -0.723   0.355  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.742   0.420   1.213  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.507   1.597   1.210  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.701   1.673   1.934  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.144   0.575   2.670  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.397  -0.600   2.683  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.204  -0.677   1.958  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 10