REMARK  Name = BDB006815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.215  -0.629   0.336  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.472  -1.563   0.025  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.240   0.288   0.418  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.086   1.473   0.691  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.599  -0.277   0.130  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        3.646  -1.599  -0.200  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        4.864  -2.110  -0.468  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        6.037  -1.372  -0.422  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        5.971  -0.018  -0.073  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        4.718   0.541   0.202  0.00  0.00    +0.045 A 
BRANCH   9  11
ATOM     11  C   LIG    1        7.213   0.832  -0.031  0.00  0.00    +0.418 C 
ATOM     12  F   LIG    1        7.175   1.783   0.941  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        8.344   0.109   0.199  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        7.423   1.494  -1.201  0.00  0.00    -0.166 F 
ENDBRANCH   9  11
ENDBRANCH   3   5
BRANCH   1  15
ATOM     15  C   LIG    1       -0.178  -0.265   0.478  0.00  0.00    +0.106 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.762   0.240  -0.839  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.195   0.766  -0.707  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.132  -0.303  -0.360  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -2.895  -0.674   0.560  0.00  0.00    +0.122 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -4.873   1.177   0.654  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -4.562   0.066  -0.362  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -5.043   0.483  -1.761  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -5.333  -1.204   0.052  0.00  0.00    +0.027 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7