REMARK  Name = BDB027627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494   1.022  -0.175  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.035   2.164  -0.796  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.350   2.049  -1.246  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.881   3.169  -1.867  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.242   4.351  -2.069  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.019   4.433  -1.611  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.074   0.930  -1.097  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.489  -0.103  -0.472  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.659   3.384  -0.978  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.226  -0.095  -0.007  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.281  -1.337  -0.308  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.830  -2.405   0.481  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.611  -3.545   0.603  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.802  -3.705  -0.006  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.235  -2.676  -0.760  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.525  -1.498  -0.937  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.837   1.037   0.256  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -2.401   1.188  -0.583  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.857   0.108   1.230  0.00  0.00    +0.053 C 
ATOM     20  C   LIG    1       -2.355  -0.180   0.998  0.00  0.00    +0.223 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.717  -0.433   2.380  0.00  0.00    +0.421 C 
ATOM     22  F   LIG    1       -0.445  -0.876   2.359  0.00  0.00    -0.168 F 
ATOM     23  F   LIG    1       -1.720   0.710   3.120  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1       -2.434  -1.335   3.102  0.00  0.00    -0.168 F 
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -2.300  -1.419   0.108  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1       -2.549  -1.420  -1.093  0.00  0.00    -0.248 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -2.038  -2.586   0.719  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -2.046  -3.250  -0.005  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6