REMARK  Name = BDB062341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257  -2.080   0.648  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.349  -0.886   0.544  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.558  -0.819   1.097  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.412   0.289   1.138  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -3.572  -0.056   1.857  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.428  -1.409   2.218  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -4.359  -2.190   2.979  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.510   0.681   2.118  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.189  -1.850   1.752  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -1.518  -3.026   1.827  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1       -0.290  -3.155   1.277  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.069   1.595   0.612  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1       -3.145   2.210  -0.288  0.00  0.00    +0.204 C 
ATOM     14  F   LIG    1       -2.738   2.136  -1.587  0.00  0.00    -0.242 F 
ATOM     15  C   LIG    1       -3.241   3.673   0.144  0.00  0.00    +0.120 C 
ATOM     16  N   LIG    1       -2.087   3.923   1.020  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -2.296   4.665   1.688  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -1.873   2.647   1.707  0.00  0.00    +0.109 C 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     19  N   LIG    1        1.528  -2.304   0.125  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        1.788  -3.260   0.315  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        4.211  -3.317  -0.351  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        3.709  -2.015  -0.920  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        2.396  -1.556  -0.685  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        2.036  -0.320  -1.238  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        2.928   0.436  -2.022  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.229  -0.034  -2.268  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1        5.118   0.651  -3.011  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        4.726   1.834  -3.534  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        3.471   2.381  -3.349  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        2.559   1.668  -2.581  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        4.592  -1.250  -1.711  0.00  0.00    +0.033 A 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3