REMARK  Name = BDB000449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.801   0.132   0.370  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.279  -1.115  -0.037  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.615  -1.226  -0.398  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -4.322  -2.451  -0.888  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -5.785  -2.048  -0.667  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -5.850  -0.517  -0.865  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -4.479  -0.123  -0.374  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -4.010   1.119   0.018  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.669   1.237   0.397  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.520   0.411   0.763  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        0.420  -0.660   0.724  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.781  -0.142   1.175  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.293   0.986   0.280  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.601   1.390   0.690  0.00  0.00    -0.492 OA
BRANCH  14  17
ATOM     15  C   LIG    1        7.123   0.794   0.037  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        5.919   1.321   0.511  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1        4.688   0.769   0.142  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        4.669  -0.334  -0.709  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.869  -0.868  -1.188  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        7.093  -0.306  -0.818  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        9.496   0.942   0.021  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        8.246   1.438   0.480  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -7.031   0.090  -0.115  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -7.387   1.449  -0.643  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1       -7.257   2.511  -0.059  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.914   1.408  -1.882  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -8.104   2.347  -2.091  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 10