REMARK  Name = BDB050330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.225  -1.627   0.778  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        3.106  -1.067   0.144  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.903  -0.884   0.840  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        1.814  -1.274   2.179  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.924  -1.831   2.816  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        4.122  -2.004   2.122  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.753  -0.279   0.129  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1       -0.536   0.019   0.816  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1       -1.116   0.958  -0.220  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -0.499   0.551  -1.453  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.771   0.008  -1.135  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.623   0.897  -0.278  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -3.388   1.714   0.562  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -4.787   1.656   0.545  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.472   0.775  -0.306  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -4.691  -0.046  -1.141  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.293   0.011  -1.127  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -7.007   0.685  -0.353  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -7.719   1.650   0.623  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -7.505   1.025  -1.774  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -7.455  -0.746   0.013  0.00  0.00    +0.015 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1        5.523  -1.799   0.023  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.468  -0.602   0.181  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        7.473  -0.871   1.304  0.00  0.00    +0.334 C 
ATOM     25  O   LIG    1        7.200  -0.956   2.492  0.00  0.00    -0.248 OA
BRANCH  24  26
ATOM     26  O   LIG    1        8.739  -1.022   0.834  0.00  0.00    -0.479 OA
ATOM     27  H   LIG    1        8.706  -0.919  -0.147  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1        7.244  -0.461  -1.036  0.00  0.00    -0.365 OA
BRANCH  28  30
ATOM     29  C   LIG    1        5.694   0.842  -2.403  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        7.040   0.787  -1.705  0.00  0.00    +0.157 C 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9