REMARK  Name = BDB012917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.482  -0.740  -1.358  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.547  -0.222  -0.480  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.874  -0.316  -0.788  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.579   0.428   0.356  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.618   0.200   1.523  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.751   0.290   0.864  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.115  -1.351  -2.363  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.003  -0.131  -0.516  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.084  -1.125  -1.406  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.809  -1.351  -1.756  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.608  -2.053  -2.462  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.890  -0.584  -1.086  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.655   0.248  -0.292  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.266   0.260   1.615  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.251   0.440   0.095  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.434   1.914  -0.272  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.921  -0.044   0.650  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.167  -0.170   1.628  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.942   0.130  -0.264  0.00  0.00    +0.228 C 
ATOM     20  O   LIG    1        3.725   0.596  -1.381  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.329  -0.331   0.173  0.00  0.00    +0.136 C 
ATOM     22  C   LIG    1        6.339  -0.113  -0.966  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        5.297  -1.824   0.529  0.00  0.00    +0.030 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.734   0.501   1.373  0.00  0.00    +0.403 C 
ATOM     25  F   LIG    1        4.885   0.313   2.415  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1        6.969   0.162   1.812  0.00  0.00    -0.170 F 
ATOM     27  F   LIG    1        5.753   1.823   1.103  0.00  0.00    -0.170 F 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5