REMARK  Name = BDB056747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.723  -0.653   1.355  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.199  -0.260   0.069  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.089   0.160  -0.176  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.110   0.409  -1.545  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.291   0.867  -2.149  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.428   1.059  -1.354  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.386   0.783   0.015  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.111   0.154  -2.110  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.211   0.348   0.641  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.897  -0.230  -1.121  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.477   0.995   0.832  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.668   0.412   0.458  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        5.762  -0.902  -0.000  0.00  0.00    +0.084 A 
ATOM     14  C   LIG    1        7.013  -1.419  -0.318  0.00  0.00    +0.127 A 
ATOM     15  F   LIG    1        7.111  -2.678  -0.764  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        8.167  -0.654  -0.175  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        8.072   0.652   0.302  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        6.822   1.183   0.626  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.336  -0.616  -1.266  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.081   0.130  -0.304  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.424  -0.117  -0.230  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.082   0.557   0.803  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.459   0.395   0.997  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.183  -0.447   0.146  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.529  -1.118  -0.888  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.153  -0.953  -1.076  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.102   1.129   2.112  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.535   1.849   2.914  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.430   0.927   2.173  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -8.714   1.469   2.939  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7