REMARK  Name = BDB051070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.111  -1.331  -0.151  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.805  -0.605   0.816  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.198  -0.487   0.743  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.913  -1.095  -0.296  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1        2.212  -1.824  -1.262  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.822  -1.939  -1.187  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.242  -1.523  -0.199  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.023  -0.928   0.844  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.508  -1.251   0.616  0.00  0.00    +0.150 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.647  -0.221  -1.661  0.00  0.00    +0.134 C 
ATOM     11  N   LIG    1       -4.173  -0.305  -0.302  0.00  0.00    -0.285 N 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.520  -0.195  -0.147  0.00  0.00    +0.291 A 
ATOM     13  O   LIG    1       -6.228   0.421  -1.149  0.00  0.00    -0.424 OA
ATOM     14  C   LIG    1       -7.519   0.396  -0.716  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -7.535  -0.226   0.519  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -8.758  -0.379   1.185  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -9.916   0.111   0.561  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -9.855   0.736  -0.692  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -8.639   0.895  -1.368  0.00  0.00    +0.048 A 
ATOM     20  N   LIG    1       -6.262  -0.594   0.868  0.00  0.00    -0.195 NA
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        4.413  -0.953  -0.384  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.877   0.405  -0.926  0.00  0.00    +0.285 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.571   0.472  -2.417  0.00  0.00    +0.346 C 
ATOM     24  O   LIG    1        5.195  -0.049  -3.329  0.00  0.00    -0.247 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.461   1.192  -2.693  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        3.384   1.142  -3.669  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  O   LIG    1        6.303   0.505  -0.812  0.00  0.00    -0.477 OA
BRANCH  27  28
ATOM     28  C   LIG    1        6.845   1.019   0.331  0.00  0.00    +0.122 A 
ATOM     29  C   LIG    1        8.233   1.182   0.288  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        8.927   1.693   1.386  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        8.233   2.043   2.541  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.851   1.880   2.595  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        6.156   1.368   1.493  0.00  0.00    +0.045 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 11