REMARK  Name = BDB047523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.334  -2.998   0.627  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.159  -1.960   0.290  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -1.764  -0.708  -0.176  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -2.744   0.238  -0.459  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.521   1.608  -1.014  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.856   2.270  -0.673  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -4.944   1.157  -0.729  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -4.111  -0.031  -0.295  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.506  -1.284   0.141  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.527  -2.238   0.443  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.171   1.528   0.133  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.684   2.914  -0.205  0.00  0.00    +0.308 C 
ATOM     13  O   LIG    1       -7.010   3.769   0.603  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.815   3.148  -1.524  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -7.184   4.055  -1.567  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  C   LIG    1       -7.374   0.564   0.107  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -7.767   0.034  -1.265  0.00  0.00    +0.004 C 
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.075  -2.832   0.452  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.704  -2.170   1.677  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.003  -1.200   0.805  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        4.377  -2.188   1.679  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        3.197  -2.703   2.137  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.275  -3.802   3.114  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        2.171  -2.012   1.530  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        2.695  -1.062   0.682  0.00  0.00    -0.214 NA
BRANCH  20  29
ATOM     26  C   LIG    1        7.109   1.010  -1.159  0.00  0.00    -0.048 A 
ATOM     27  C   LIG    1        5.761   1.293  -1.403  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.757   0.565  -0.758  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        5.075  -0.458   0.148  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.428  -0.732   0.393  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        7.435  -0.004  -0.251  0.00  0.00    +0.004 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.583   3.036  -1.034  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        8.194   1.806  -1.839  0.00  0.00    +0.032 C 
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10