REMARK  Name = BDB065018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551   0.711   1.259  0.00  0.00    +0.108 C 
ATOM      2  O   LIG    1        0.680   0.634   2.022  0.00  0.00    -0.486 OA
ATOM      3  C   LIG    1        1.858   0.548   1.337  0.00  0.00    +0.125 A 
ATOM      4  C   LIG    1        1.948   0.312  -0.033  0.00  0.00    -0.002 A 
ATOM      5  C   LIG    1        3.215   0.260  -0.634  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.381   0.414   0.123  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        4.277   0.628   1.496  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.715   0.150  -0.864  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1        3.017   0.694   2.098  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -0.478  -0.194   0.016  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -0.791   2.186   0.899  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.632   0.212   2.259  0.00  0.00    +0.052 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.112   0.450   1.933  0.00  0.00    +0.031 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.136  -1.554   0.730  0.00  0.00    -0.076 C 
ATOM     15  C   LIG    1       -3.644  -0.299   0.747  0.00  0.00    -0.028 C 
ATOM     16  C   LIG    1       -4.184  -2.462   1.931  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.658  -2.153  -0.564  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.172  -2.344  -0.590  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.928  -1.044  -0.479  0.00  0.00    +0.307 C 
ATOM     20  O   LIG    1       -7.766  -0.814   0.382  0.00  0.00    -0.251 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.590  -0.201  -1.494  0.00  0.00    -0.465 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -8.571   0.976  -2.238  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -7.253   1.071  -1.493  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   6  24
ATOM     24  O   LIG    1        5.540   0.332  -0.597  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.762   0.472   0.123  0.00  0.00    +0.264 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.902   0.340  -0.856  0.00  0.00    -0.010 A 
ATOM     27  C   LIG    1        8.433   1.473  -1.488  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        9.479   1.347  -2.404  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.997   0.088  -2.704  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.466  -1.047  -2.093  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.420  -0.923  -1.177  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 11