REMARK  Name = BDB060571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.744  -0.430   1.275  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        1.521  -1.167   0.332  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        0.138  -0.958   0.159  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.445  -1.224  -1.095  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        0.325  -1.695  -2.156  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.688  -1.899  -1.980  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.284  -1.635  -0.744  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        2.020  -0.882   1.576  0.00  0.00    -0.488 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.409  -1.088   1.847  0.00  0.00    +0.256 C 
BRANCH   9  12
ATOM     10  C   LIG    1        6.177  -1.123   0.372  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        5.385   0.106   0.726  0.00  0.00    -0.073 C 
ATOM     12  C   LIG    1        4.208   0.098   1.384  0.00  0.00    +0.012 C 
BRANCH  11  13
ATOM     13  C   LIG    1        6.018   1.425   0.318  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.924   1.672  -1.187  0.00  0.00    +0.125 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.511   3.007  -1.552  0.00  0.00    +0.305 C 
ATOM     16  O   LIG    1        7.054   3.808  -0.812  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.389   3.265  -2.869  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        6.800   4.148  -2.980  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  C   LIG    1       -1.794  -1.403   1.717  0.00  0.00    +0.050 A 
ATOM     20  N   LIG    1       -1.529  -2.525   2.473  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -0.253  -2.945   2.998  0.00  0.00    +0.150 C 
ATOM     22  C   LIG    1       -2.697  -3.213   2.635  0.00  0.00    +0.199 A 
ATOM     23  N   LIG    1       -3.700  -2.605   2.048  0.00  0.00    -0.235 NA
ATOM     24  C   LIG    1       -3.162  -1.468   1.494  0.00  0.00    +0.092 A 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.968  -0.531   0.736  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.810  -1.008  -0.272  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.596  -0.124  -1.020  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.567   1.256  -0.770  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -4.736   1.723   0.259  0.00  0.00    +0.012 A 
ATOM     30  C   LIG    1       -3.948   0.840   1.008  0.00  0.00    +0.011 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.385   2.185  -1.547  0.00  0.00    +0.135 A 
ATOM     32  O   LIG    1       -7.118   1.645  -2.569  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1       -7.799   2.657  -3.163  0.00  0.00    +0.196 A 
ATOM     34  C   LIG    1       -7.520   3.851  -2.545  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -6.609   3.549  -1.503  0.00  0.00    +0.050 A 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   1  19
TORSDOF 11