REMARK  Name = BDB056883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.771   4.796  -3.142  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.637   3.928  -2.659  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.936   2.946  -1.724  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.213   2.182  -1.200  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.253   0.924  -0.557  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.474  -0.176  -0.033  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.357  -1.095   0.485  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.596  -0.601   0.282  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.575   0.622  -0.315  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.716   1.494  -0.680  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.186   2.923  -0.929  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.500   4.094  -3.103  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.921  -0.367  -0.011  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.646  -0.452   1.208  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.046  -0.621   1.159  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.775  -0.699   2.353  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        4.103  -0.602   3.559  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        2.772  -0.437   3.660  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.695  -0.709  -0.084  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        3.982  -0.625  -1.286  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        2.081  -0.372   2.494  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1        2.594  -0.462  -1.240  0.00  0.00    +0.016 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.700  -0.756  -2.602  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1        5.040  -2.113  -2.847  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        4.463  -2.669  -2.296  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1       -2.756  -1.365   0.723  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -2.731  -2.812   0.226  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -4.000  -3.541   0.657  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1       -4.612  -2.960   1.811  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -3.656  -2.532   2.775  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -2.914  -1.311   2.249  0.00  0.00    +0.055 C 
ENDBRANCH   8  26
TORSDOF 4