REMARK  Name = BDB057152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.853   0.204   0.793  0.00  0.00    -0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.545   0.826  -0.423  0.00  0.00    -0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -3.657   1.786   0.008  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -4.350   2.476  -1.167  0.00  0.00    +0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -5.100   1.568  -2.149  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -6.305   0.833  -1.550  0.00  0.00    +0.001 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -5.984  -0.594  -1.100  0.00  0.00    +0.011 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -7.224  -1.294  -0.554  0.00  0.00    +0.120 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.904  -2.707  -0.141  0.00  0.00    +0.305 C 
ATOM     10  O   LIG    1       -7.165  -3.692  -0.815  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.279  -2.787   1.054  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1       -6.130  -1.923   1.480  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.813  -0.858   0.425  0.00  0.00    -0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.387  -0.295  -0.340  0.00  0.00    -0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.448  -1.374  -0.572  0.00  0.00    -0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.621  -0.901  -1.437  0.00  0.00    -0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.410   0.295  -0.895  0.00  0.00    -0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.034   0.041   0.479  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.907   1.221   0.914  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.496   1.056   2.316  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.436  -0.135   2.530  0.00  0.00    -0.000 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.694  -0.826   0.414  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        7.745  -0.074   1.736  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 19