REMARK  Name = BDB053128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.153   1.170  -0.452  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.406   0.002   0.037  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -1.022  -0.182   1.415  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.902   0.865   1.685  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.615   0.972   2.866  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.440  -0.035   3.815  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.581  -1.116   3.556  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.874  -1.200   2.350  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.962   1.736   0.512  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -2.630   2.750   0.443  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.616  -1.188  -0.917  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.817  -1.929  -0.904  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -2.021  -2.993  -1.787  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -1.033  -3.320  -2.705  0.00  0.00    +0.123 A 
ATOM     15  F   LIG    1       -1.229  -4.337  -3.553  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        0.149  -2.596  -2.764  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        0.353  -1.532  -1.882  0.00  0.00    +0.011 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1       -0.884   1.815  -1.725  0.00  0.00    +0.111 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.713   2.251  -4.062  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -2.001   1.564  -2.737  0.00  0.00    +0.016 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  O   LIG    1        0.954   0.456   0.087  0.00  0.00    -0.344 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.899  -0.305   0.839  0.00  0.00    +0.124 C 
ATOM     23  C   LIG    1        2.087   0.316   2.235  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        3.551   0.728   2.323  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        3.959   0.968   0.881  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        3.260  -0.166   0.143  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     27  O   LIG    1        4.304  -0.353   2.866  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        5.230  -0.059   2.926  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6