REMARK  Name = BDB014422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.163  -1.341   0.108  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.917   1.068   1.481  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        2.409   0.804   0.388  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        2.012  -0.265  -0.388  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        2.645  -0.492  -1.151  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.479   1.683  -0.264  0.00  0.00    +0.324 C 
BRANCH   6   7
ATOM      7  O   LIG    1        4.381   0.957  -1.090  0.00  0.00    -0.480 OA
BRANCH   7   8
ATOM      8  C   LIG    1        5.392   0.256  -0.488  0.00  0.00    +0.156 A 
ATOM      9  C   LIG    1        6.270  -0.398  -1.360  0.00  0.00    +0.165 A 
ATOM     10  F   LIG    1        6.086  -0.310  -2.687  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1        7.339  -1.154  -0.885  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        7.542  -1.269   0.487  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        6.673  -0.629   1.370  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        5.600   0.131   0.887  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.260  -0.949   0.568  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.227  -0.421   1.895  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        0.393   0.341   1.886  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -0.964   0.018  -0.418  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.345   0.416  -0.068  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.242  -0.744   0.079  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.713  -0.394   0.186  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -5.189   0.875  -0.182  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -6.558   1.162  -0.092  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -7.455   0.184   0.337  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.991  -1.082   0.685  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.216   1.942  -0.609  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.628  -1.371   0.609  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.878   1.351  -1.069  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 8