REMARK  Name = BDB012916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.275  -0.641  -0.812  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.184   0.128  -0.437  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.161  -0.299  -0.797  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.087   0.727  -0.133  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.291   1.131   1.107  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.143   1.155   0.596  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.118  -1.711  -1.396  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.731   0.117   0.068  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.268   1.352  -0.166  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.998   1.152  -0.550  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.461   1.955  -0.859  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.587  -0.148  -0.480  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.722  -0.854  -0.132  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.143   0.342  -0.594  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.156  -0.117   0.482  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.474   0.546   1.823  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.403   0.210   0.191  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.515  -0.300   1.056  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.352   0.054  -0.801  0.00  0.00    +0.228 C 
ATOM     20  O   LIG    1        4.154   0.423  -1.952  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.634  -0.624  -0.429  0.00  0.00    +0.141 C 
ATOM     22  C   LIG    1        5.548  -1.959   0.314  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1        6.061  -0.748   1.037  0.00  0.00    +0.026 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.730  -0.454  -1.450  0.00  0.00    +0.404 C 
ATOM     25  F   LIG    1        7.888  -1.023  -1.018  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1        7.000   0.852  -1.677  0.00  0.00    -0.170 F 
ATOM     27  F   LIG    1        6.422  -1.049  -2.625  0.00  0.00    -0.170 F 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5