REMARK  Name = BDB041340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.489  -0.285   0.208  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -2.040   0.586  -0.806  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.676   0.572  -1.173  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.253   1.433  -2.208  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.169   2.273  -2.817  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -2.469   2.323  -2.480  0.00  0.00    -0.263 NA
ATOM      7  C   LIG    1        0.193  -0.317  -0.490  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -0.246  -1.162   0.465  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1       -2.873   1.478  -1.502  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -1.557  -1.135   0.786  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -7.381  -1.351   1.068  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -6.017  -0.774   1.062  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -5.732   0.292   1.819  0.00  0.00    -0.176 NA
ATOM     14  N   LIG    1       -4.431   0.536   1.574  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -3.789   1.643   2.245  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1       -3.874  -0.331   0.664  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -4.890  -1.203   0.328  0.00  0.00    +0.052 A 
ENDBRANCH   1  16
BRANCH   7  18
ATOM     18  N   LIG    1        1.562  -0.331  -0.823  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        1.937   0.606  -0.723  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.360  -1.317  -0.103  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.807  -1.147  -0.478  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.623  -0.183   0.110  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.310   0.844   1.133  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.731   1.289   1.480  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.605   0.980   0.370  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        5.944  -0.022  -0.292  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.513  -0.794  -1.284  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.718  -1.772  -1.881  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.385  -1.940  -1.479  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.656  -2.890  -2.082  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   7  18
TORSDOF 4