REMARK  Name = BDB058428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.718  -0.717   0.355  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.061  -1.509  -0.495  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.446  -1.330  -0.552  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.074  -0.358   0.230  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.303   0.440   1.073  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.084   0.263   1.133  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.218  -0.889   0.417  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.855   0.241  -0.250  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -2.342   0.527  -1.081  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -6.514  -0.414   0.110  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -5.131  -0.514   0.315  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.237   0.232  -0.458  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.775   1.123  -1.400  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.153   1.212  -1.623  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -7.029   0.433  -0.875  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -7.168  -2.404   1.231  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -7.407  -1.244   0.948  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -8.483  -0.566   1.398  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -8.449   0.396   1.235  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.431  -0.292   0.073  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.128   0.671   0.857  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.599   0.549   0.542  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        6.210   1.422  -0.368  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        7.564   1.286  -0.657  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        8.140   2.130  -1.524  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        8.329   0.289  -0.063  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.729  -0.593   0.833  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.370  -0.466   1.131  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8