REMARK  Name = BDB045129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.734  -0.508  -0.419  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.897  -2.323   1.240  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.977  -1.140   0.949  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.316  -0.233   1.891  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.461  -0.773   2.697  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.477  -0.993  -1.008  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.671  -0.522  -0.538  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.851   0.468   0.430  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.142   0.850   0.812  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.256   0.245   0.225  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        4.084  -0.743  -0.744  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        2.793  -1.120  -1.121  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1        5.625   0.632   0.613  0.00  0.00    +0.160 C 
ATOM     14  N   LIG    1        5.859   1.546   1.502  0.00  0.00    -0.095 NA
BRANCH  14  15
ATOM     15  O   LIG    1        7.243   1.688   1.650  0.00  0.00    -0.409 OA
ATOM     16  H   LIG    1        7.310   2.384   2.330  0.00  0.00    +0.328 HD
ENDBRANCH  14  15
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.875  -0.927  -1.360  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.208  -0.312  -1.012  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -3.486   1.020  -1.349  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.712   1.594  -1.010  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.670   0.843  -0.331  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.404  -0.482   0.008  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.179  -1.058  -0.330  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8