REMARK  Name = BDB039383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173   0.140   0.231  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        0.395   0.982   1.351  0.00  0.00    +0.133 A 
ATOM      3  F   LIG    1       -0.645   1.528   2.001  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.671   1.270   1.834  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        2.734   0.689   1.179  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        4.168   0.806   1.456  0.00  0.00    +0.248 C 
ATOM      7  N   LIG    1        4.819  -0.026   0.557  0.00  0.00    -0.282 N 
ATOM      8  C   LIG    1        3.902  -0.608  -0.416  0.00  0.00    +0.144 C 
ATOM      9  O   LIG    1        4.657   1.510   2.317  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.571  -0.149   0.080  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        1.302  -0.431  -0.401  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1       -2.142  -4.065  -1.803  0.00  0.00    +0.150 C 
ATOM     13  N   LIG    1       -2.990  -2.903  -1.696  0.00  0.00    -0.335 N 
ATOM     14  C   LIG    1       -2.583  -1.692  -1.196  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1       -3.672  -0.827  -1.242  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.490   0.489  -0.775  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -2.206   0.798  -0.284  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -1.185  -0.158  -0.274  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1       -4.759  -1.567  -1.787  0.00  0.00    +0.029 A 
ATOM     20  N   LIG    1       -1.343  -1.420  -0.747  0.00  0.00    -0.229 NA
ATOM     21  C   LIG    1       -4.310  -2.841  -2.062  0.00  0.00    +0.088 A 
BRANCH  16  22
ATOM     22  C   LIG    1       -4.580   1.536  -0.767  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.568   1.320   0.292  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1       -6.688   2.256   0.193  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -7.382   2.099   1.536  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -6.285   1.655   2.497  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -5.033   1.516   1.641  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  18
BRANCH   7  28
ATOM     28  C   LIG    1        6.264   0.026   0.368  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1        6.664   0.965  -0.783  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1        5.899   1.750  -1.339  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1        7.977   0.872  -1.187  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1        8.227   1.479  -1.956  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1        8.780  -0.231  -1.047  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1        9.775  -0.383  -1.749  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1        8.384  -1.225   0.020  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1        6.871  -1.351   0.119  0.00  0.00    +0.041 C 
ENDBRANCH   7  28
TORSDOF 4