REMARK  Name = BDB045822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.041  -0.908  -0.019  0.00  0.00    -0.484 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -5.108  -1.572  -0.650  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -4.483  -1.932   0.552  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.119  -1.697   0.735  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.365  -1.122  -0.286  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.980  -0.739  -1.477  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.346  -0.968  -1.660  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -6.591  -1.795  -0.840  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -7.418  -0.561  -0.467  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -8.836  -0.745  -1.008  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -9.127  -0.801  -2.193  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -9.757  -0.848  -0.015  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -9.275  -0.780   0.844  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -7.529  -0.457   0.972  0.00  0.00    -0.362 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -6.654   0.419   3.003  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.864   0.692   1.518  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -7.723   1.939   1.327  0.00  0.00    +0.037 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.170  -1.369  -1.065  0.00  0.00    +0.308 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.243  -1.440  -0.597  0.00  0.00    +0.209 A 
ATOM     20  N   LIG    1        2.177  -0.480  -0.913  0.00  0.00    -0.188 NA
ATOM     21  C   LIG    1        3.256  -0.928  -0.306  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        3.048  -2.110   0.348  0.00  0.00    -0.333 OA
ATOM     23  N   LIG    1        1.709  -2.453   0.148  0.00  0.00    -0.057 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.597  -0.360  -0.246  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.629  -0.957   0.488  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        6.909  -0.384   0.532  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        7.203   0.804  -0.158  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.159   1.393  -0.895  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.880   0.824  -0.937  0.00  0.00    +0.013 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.595   1.461  -0.129  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1        8.484   2.896   0.433  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        9.169   1.519  -1.562  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1        9.624   0.708   0.747  0.00  0.00    +0.015 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11