REMARK  Name = BDB012988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.898   1.250  -0.990  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.107   1.510  -0.066  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.469   1.735  -0.541  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        2.392   1.428   0.642  0.00  0.00    +0.127 C 
ATOM      5  C   LIG    1        1.468   1.604   1.853  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.112   1.135   1.342  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.669   1.295  -2.197  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        3.007   0.114   0.517  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1        4.119  -0.190  -0.241  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        4.335  -1.552  -0.040  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        5.409  -2.175  -0.690  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1        6.241  -1.430  -1.525  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        6.008  -0.068  -1.716  0.00  0.00    +0.005 A 
ATOM     14  F   LIG    1        5.647  -3.483  -0.518  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        3.315  -1.952   0.844  0.00  0.00    +0.145 A 
ATOM     16  C   LIG    1        4.942   0.580  -1.077  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        2.510  -0.946   1.191  0.00  0.00    -0.178 NA
ENDBRANCH   4   8
BRANCH   1  22
ATOM     18  C   LIG    1       -4.244   0.102  -0.110  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1       -4.096   1.104   0.767  0.00  0.00    -0.178 NA
ATOM     20  N   LIG    1       -2.884   1.607   0.482  0.00  0.00    -0.272 N 
ATOM     21  H   LIG    1       -2.580   2.432   0.986  0.00  0.00    +0.189 HD
ATOM     22  C   LIG    1       -2.207   0.925  -0.488  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -3.097  -0.034  -0.928  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.241  -0.565  -1.471  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -5.512  -0.703  -0.133  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -5.249  -2.176   0.185  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3