REMARK  Name = BDB049060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.395  -1.102   0.907  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.496  -2.132   1.213  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.819  -2.094   0.752  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.314  -1.033  -0.023  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.393  -0.032  -0.358  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        0.067  -0.059   0.098  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.641  -1.045  -0.463  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1        4.106  -0.084  -1.493  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        4.602   1.245  -0.870  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        5.646   1.003   0.163  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        5.181   0.041   1.193  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        4.684  -1.287   0.570  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        6.973   1.001  -0.272  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        7.464   2.073  -1.040  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        8.788   2.123  -1.491  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        9.669   1.098  -1.172  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        9.224   0.036  -0.394  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.897  -0.003   0.056  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  N   LIG    1       -3.390   0.561   0.856  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -4.024  -0.702   0.467  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.815  -1.647   0.303  0.00  0.00    +0.079 C 
ATOM     22  C   LIG    1       -1.828  -1.170   1.407  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -2.409   0.180   1.881  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -3.070  -3.107   0.295  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.883  -3.592   1.408  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -3.660  -3.529  -0.977  0.00  0.00    +0.104 C 
ENDBRANCH  21  24
BRANCH  19  27
ATOM     27  C   LIG    1       -4.324   1.585   1.329  0.00  0.00    +0.122 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -7.294   0.989   1.017  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.548   1.882   0.064  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -5.173   2.168   0.220  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.561   3.032  -0.703  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -3.263   3.348  -0.568  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -5.266   3.597  -1.760  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -6.616   3.308  -1.916  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -7.252   2.459  -1.009  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 6