REMARK  Name = BDB061154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.415  -1.754   0.933  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.283  -1.037   0.519  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.190  -1.007   1.357  0.00  0.00    +0.143 A 
ATOM      4  O   LIG    1        1.005  -0.356   1.109  0.00  0.00    -0.451 OA
ATOM      5  C   LIG    1        0.200  -0.599   2.216  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1        0.915  -1.440   3.213  0.00  0.00    +0.231 C 
ATOM      7  O   LIG    1        0.534  -1.846   4.289  0.00  0.00    -0.283 OA
ATOM      8  C   LIG    1       -1.045  -0.142   2.409  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1        2.207  -1.668   2.580  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        3.303  -2.381   3.020  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        4.421  -2.420   2.177  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -1.799   0.702   1.474  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1       -1.822   0.461   0.097  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.578   1.267  -0.771  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1       -2.515   0.984  -2.245  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -3.381   2.285  -0.232  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1       -3.322   2.583   1.139  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1       -4.078   3.727   1.751  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -2.555   1.763   1.983  0.00  0.00    +0.015 A 
BRANCH  16  20
ATOM     20  O   LIG    1       -4.158   3.058  -1.055  0.00  0.00    -0.475 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.474   2.544  -1.329  0.00  0.00    +0.200 C 
ATOM     22  C   LIG    1       -5.625   2.539  -2.864  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1       -6.486   3.580  -0.804  0.00  0.00    +0.067 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.879   1.136  -0.813  0.00  0.00    +0.348 C 
ATOM     25  O   LIG    1       -5.878   0.095  -1.454  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.245   1.111   0.487  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1       -6.387   0.159   0.672  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   8  12
BRANCH   1  28
ATOM     28  O   LIG    1        5.450  -1.729   0.038  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.621  -2.475   0.366  0.00  0.00    +0.229 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.634  -2.336  -0.771  0.00  0.00    +0.041 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.772  -4.277  -2.186  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        7.121  -2.798  -2.138  0.00  0.00    -0.000 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9