REMARK  Name = BDB045206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.191   1.413   1.640  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        1.087   0.822   1.714  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        2.260   1.531   1.386  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1        2.120   2.864   0.988  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        0.862   3.458   0.927  0.00  0.00    +0.125 A 
ATOM      6  F   LIG    1        0.757   4.738   0.546  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -0.287   2.751   1.250  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.533   0.897   1.453  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1        4.782   1.523   1.328  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        5.036   2.702   1.131  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        5.858   0.487   1.555  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        5.136  -0.845   1.389  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        3.692  -0.509   1.758  0.00  0.00    +0.122 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.321  -1.428  -0.003  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        6.204  -2.506  -0.178  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.412  -3.066  -1.440  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.745  -2.552  -2.549  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.873  -1.478  -2.396  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.664  -0.916  -1.134  0.00  0.00    +0.004 A 
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.433   0.626   2.003  0.00  0.00    +0.151 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -4.565  -0.151  -0.838  0.00  0.00    +0.042 C 
ATOM     22  N   LIG    1       -3.228  -0.701  -0.965  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -3.111  -1.567  -1.480  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -2.241  -0.502  -0.062  0.00  0.00    +0.182 C 
ATOM     25  N   LIG    1       -1.225  -1.293  -0.151  0.00  0.00    -0.272 NA
ATOM     26  H   LIG    1       -0.500  -1.062   0.520  0.00  0.00    +0.189 HD
ATOM     27  N   LIG    1       -2.369   0.490   0.886  0.00  0.00    -0.240 N 
ATOM     28  C   LIG    1       -3.472   1.337   0.888  0.00  0.00    +0.224 C 
ATOM     29  O   LIG    1       -3.701   2.154   1.784  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -4.388   1.276  -0.313  0.00  0.00    +0.122 C 
ATOM     31  C   LIG    1       -5.363  -1.006   0.164  0.00  0.00    +0.032 C 
BRANCH  21  33
ATOM     32  C   LIG    1       -5.497  -1.530  -2.843  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -5.225  -0.132  -2.264  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -6.531   0.676  -2.328  0.00  0.00    +0.009 C 
ENDBRANCH  21  33
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5