REMARK  Name = BDB001531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.370   2.183   1.809  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -0.183   3.275   2.637  0.00  0.00    +0.181 A 
ATOM      3  F   LIG    1       -1.202   3.864   3.278  0.00  0.00    -0.200 F 
ATOM      4  C   LIG    1        1.098   3.744   2.764  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1        2.151   3.195   2.127  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.899   2.139   1.333  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.672   1.620   1.166  0.00  0.00    -0.196 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -1.681   1.653   1.688  0.00  0.00    -0.297 N 
ATOM      9  H   LIG    1       -2.360   2.406   1.635  0.00  0.00    +0.154 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -3.087  -1.884  -0.182  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -3.916  -0.775  -0.030  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.432   0.387   0.587  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.109   0.474   1.046  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -1.301  -0.658   0.915  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -1.780  -1.819   0.299  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -4.757  -3.191  -1.254  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.428  -3.073  -0.763  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   6  18
ATOM     18  N   LIG    1        3.016   1.599   0.703  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        3.839   2.110   0.987  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.192   0.618  -0.279  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.497   0.185  -0.568  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.738  -0.818  -1.512  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.671  -1.408  -2.173  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        2.369  -1.009  -1.904  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        2.137  -0.003  -0.959  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        3.943  -2.383  -3.084  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        3.102  -2.705  -3.448  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6