REMARK  Name = BDB041326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.396   1.726  -1.070  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.186   2.308  -1.132  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -0.170   1.645  -0.530  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.284   0.420   0.144  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.563  -0.178   0.166  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.706  -1.431   0.800  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.579  -1.998   1.381  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        0.650  -1.439   1.375  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        0.798  -0.238   0.780  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -2.630   0.511  -0.449  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.972  -2.154   0.860  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -3.506  -2.893  -0.169  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1       -2.950  -3.104  -1.486  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.693  -3.452   0.133  0.00  0.00    -0.176 NA
ATOM     15  C   LIG    1       -4.920  -3.084   1.398  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1       -6.153  -3.521   2.094  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -3.874  -2.278   1.899  0.00  0.00    +0.052 A 
ENDBRANCH   6  11
BRANCH   9  18
ATOM     18  N   LIG    1        2.074   0.361   0.777  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        2.001   1.285   1.195  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.113  -0.413   1.453  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.428   0.302   1.308  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        5.062   0.451   0.077  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.619   0.044  -1.278  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.927   0.257  -2.038  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.747   1.203  -1.314  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.268   1.132  -0.032  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.897   1.695   1.059  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        6.287   1.551   2.305  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.070   0.863   2.420  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        4.512   0.759   3.634  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
BRANCH   1  31
ATOM     31  O   LIG    1       -3.488   2.334  -1.653  0.00  0.00    -0.477 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -4.460   4.148  -2.855  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -3.178   3.587  -2.265  0.00  0.00    +0.227 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 6