REMARK  Name = BDB029691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.091   1.604   1.673  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.857   0.150   1.687  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -0.386  -0.434   0.336  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        0.818   0.265  -0.159  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.794   1.740   0.019  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.602   2.255   0.448  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.079  -0.329  -0.089  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.157   0.205  -0.807  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        4.419  -0.385  -0.760  0.00  0.00    +0.156 A 
ATOM     10  F   LIG    1        5.411   0.171  -1.473  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1        4.611  -1.521   0.010  0.00  0.00    +0.160 A 
ATOM     12  N   LIG    1        3.597  -2.079   0.722  0.00  0.00    -0.246 NA
ATOM     13  C   LIG    1        2.381  -1.478   0.649  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1        5.942  -2.213   0.114  0.00  0.00    +0.265 C 
ATOM     15  N   LIG    1        6.992  -1.694  -0.634  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        6.835  -0.886  -1.226  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        6.082  -3.200   0.835  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        8.302  -2.263  -0.605  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        9.384  -1.635   0.229  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        9.457  -1.564  -1.268  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.408   2.042   2.132  0.00  0.00    +0.121 C 
BRANCH  21  32
ATOM     22  C   LIG    1       -8.644  -0.254  -2.325  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -7.497   0.022  -1.406  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -7.173  -1.045  -0.405  0.00  0.00    +0.252 A 
ATOM     25  O   LIG    1       -7.814  -2.089  -0.341  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1       -6.122  -0.806   0.444  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1       -5.920  -1.536   1.113  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -5.362   0.369   0.408  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -5.663   1.363  -0.520  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1       -4.987   2.526  -0.617  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -3.963   2.696   0.252  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1       -3.570   1.760   1.211  0.00  0.00    -0.013 A 
ATOM     33  C   LIG    1       -4.304   0.570   1.287  0.00  0.00    +0.034 A 
ATOM     34  C   LIG    1       -6.772   1.153  -1.444  0.00  0.00    +0.038 A 
ENDBRANCH  21  32
ENDBRANCH   1  21
TORSDOF 5