REMARK  Name = BDB065222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.175  -0.963  -0.984  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.686  -2.297  -0.564  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.341  -2.635  -1.255  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.724  -1.614  -1.120  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.163  -0.309  -1.546  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.157   0.102  -0.849  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.123  -0.131   0.129  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.169   0.734   0.555  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.899   0.447   0.183  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.976   1.314   0.631  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.492  -0.667  -0.582  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.536  -1.511  -0.997  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.859  -1.252  -0.640  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.920   1.758   1.832  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.669   1.350   1.254  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.807   1.827   1.507  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.531   0.181   0.536  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.459  -0.567   0.249  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.260  -1.587   0.249  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.513  -0.745   0.375  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.627  -0.997  -0.442  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.782  -0.221  -0.318  0.00  0.00    +0.055 A 
ATOM     23  N   LIG    1       -5.883  -0.486  -1.152  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -5.822  -1.231  -1.834  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -7.079   0.198  -1.138  0.00  0.00    +0.332 A 
ATOM     26  N   LIG    1       -7.128   1.232  -0.182  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -6.098   1.572   0.686  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1       -6.527   2.631   1.463  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -7.847   2.951   1.068  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.192   2.081   0.060  0.00  0.00    +0.096 A 
ATOM     31  O   LIG    1       -8.037  -0.031  -1.863  0.00  0.00    -0.246 OA
ATOM     32  C   LIG    1       -4.853   0.815   0.625  0.00  0.00    +0.058 A 
ATOM     33  C   LIG    1       -3.745   1.056   1.438  0.00  0.00    +0.135 A 
ATOM     34  F   LIG    1       -3.761   2.034   2.356  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1       -2.586   0.288   1.320  0.00  0.00    +0.044 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4