REMARK  Name = BDB047974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.195   1.008  -0.813  0.00  0.00    +0.110 C 
ATOM      2  C   LIG    1        2.586   0.576  -1.052  0.00  0.00    +0.201 C 
ATOM      3  O   LIG    1        3.531   1.259  -1.390  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1        2.621  -0.847  -0.797  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.339  -1.233  -0.424  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        1.139  -2.572  -0.129  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.220  -3.466  -0.216  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.503  -3.039  -0.597  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        3.713  -1.698  -0.895  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        0.439  -0.052  -0.432  0.00  0.00    -0.016 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.047  -0.123  -0.049  0.00  0.00    -0.002 C 
ATOM     12  C   LIG    1       -1.793   1.251  -0.120  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -3.276   1.133   0.279  0.00  0.00    -0.010 C 
ATOM     14  C   LIG    1       -3.374   0.607   1.716  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -2.690  -0.762   1.810  0.00  0.00    -0.010 C 
ATOM     16  C   LIG    1       -3.375  -1.745   0.846  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -3.297  -1.216  -0.595  0.00  0.00    -0.010 C 
ATOM     18  C   LIG    1       -3.978   0.156  -0.672  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -1.208  -0.617   1.421  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -1.821  -1.076  -1.009  0.00  0.00    +0.015 C 
ENDBRANCH  10  11
BRANCH   1  21
ATOM     21  C   LIG    1        0.827   2.411  -0.991  0.00  0.00    +0.343 C 
ATOM     22  O   LIG    1        0.296   2.862  -1.993  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        1.153   3.092   0.136  0.00  0.00    -0.461 OA
BRANCH  23  25
ATOM     24  C   LIG    1        1.262   5.120   1.391  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        0.858   4.492   0.072  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   8  26
ATOM     26  O   LIG    1        4.446  -4.028  -0.634  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        5.761  -3.646  -1.022  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
TORSDOF 5