REMARK  Name = BDB055603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.871  -1.608   0.969  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.028  -0.810   1.740  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.361  -0.913   1.597  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.931  -1.811   0.683  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.074  -2.624  -0.070  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.312  -2.521   0.073  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.389  -1.917   0.542  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -3.106  -1.292  -0.505  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -4.505  -1.445  -0.566  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.188  -2.202   0.384  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.487  -2.820   1.412  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.101  -2.677   1.489  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -2.434  -0.430  -1.558  0.00  0.00    +0.040 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.196   1.021  -1.121  0.00  0.00    +0.040 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.459   1.849  -1.055  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1       -4.125   2.034   0.163  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -5.302   2.782   0.219  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.823   3.353  -0.941  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.169   3.172  -2.158  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.993   2.423  -2.217  0.00  0.00    +0.003 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  O   LIG    1        3.237  -1.615   1.004  0.00  0.00    -0.477 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.908  -0.550   1.684  0.00  0.00    +0.285 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.862  -1.904   3.752  0.00  0.00    -0.247 OA
ATOM     24  C   LIG    1        4.057  -0.848   3.174  0.00  0.00    +0.346 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.441   0.238   3.884  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        4.487  -0.095   4.806  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
BRANCH  22  27
ATOM     27  C   LIG    1        5.319  -0.429   1.086  0.00  0.00    +0.091 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.315   0.301  -0.239  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1        5.579   1.677  -0.291  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.556   2.354  -1.512  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.264   1.666  -2.688  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.994   0.300  -2.645  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.018  -0.380  -1.427  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 10