REMARK  Name = BDB014069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.057  -0.299  -0.753  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        0.752  -0.698  -1.911  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1        1.983  -1.533  -1.494  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1        2.880  -0.899  -0.507  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        2.140   0.060   0.347  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.651  -0.295   0.541  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.597  -0.381   2.708  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1       -4.234   0.041   1.463  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.489   0.066   0.270  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -2.126  -0.114   0.311  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1       -1.425  -0.119  -0.780  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -2.022   0.066  -1.992  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.478   0.121  -2.833  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1       -3.355   0.282  -2.138  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1       -3.862   0.473  -3.239  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.140   0.267  -0.894  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -5.619   0.487  -1.005  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1       -6.258   0.813   0.342  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -5.693  -0.088   1.431  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1        4.038  -0.253  -1.159  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.089   0.255  -0.191  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        6.042  -0.615   0.329  0.00  0.00    +0.146 A 
ATOM     23  F   LIG    1        6.078  -1.904  -0.037  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        6.981  -0.137   1.234  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        6.944   1.204   1.601  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.965   2.012   1.042  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        5.040   1.573   0.158  0.00  0.00    -0.256 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3