REMARK  Name = BDB061160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.320  -0.724   0.001  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.968  -0.413   0.206  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -2.127  -0.418  -0.885  0.00  0.00    +0.143 A 
ATOM      4  O   LIG    1       -0.781  -0.137  -0.862  0.00  0.00    -0.451 OA
ATOM      5  C   LIG    1       -0.347  -0.259  -2.178  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1       -1.473  -0.641  -3.072  0.00  0.00    +0.231 C 
ATOM      7  O   LIG    1       -1.472  -0.841  -4.266  0.00  0.00    -0.283 OA
ATOM      8  C   LIG    1        0.906  -0.085  -2.620  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1       -2.603  -0.724  -2.155  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -3.925  -1.036  -2.393  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -4.792  -1.034  -1.293  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.060   0.276  -1.787  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        1.990   1.275  -0.807  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.116   1.625  -0.045  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        2.995   2.700   0.996  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1        4.316   0.930  -0.260  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        4.429  -0.026  -1.280  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1        5.730  -0.724  -1.558  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        3.288  -0.353  -2.029  0.00  0.00    +0.015 A 
BRANCH  16  20
ATOM     20  O   LIG    1        5.425   1.236   0.487  0.00  0.00    -0.480 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.457   0.443   1.675  0.00  0.00    +0.349 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.851   0.439   2.264  0.00  0.00    +0.343 C 
ATOM     23  O   LIG    1        7.133   0.602   3.442  0.00  0.00    -0.247 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.822   0.168   1.367  0.00  0.00    -0.478 OA
ATOM     25  H   LIG    1        8.650   0.211   1.887  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   8  12
BRANCH   1  26
ATOM     26  O   LIG    1       -5.080  -0.695   1.139  0.00  0.00    -0.492 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.473  -0.978   1.007  0.00  0.00    +0.229 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -7.056   0.527   2.961  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -7.128  -0.880   2.382  0.00  0.00    +0.038 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8