REMARK  Name = BDB031366
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.804  -0.744   0.350  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.287  -0.853   1.736  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.167  -0.329   1.871  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.337   0.986   1.245  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.126   1.026  -0.152  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.829  -0.264  -0.638  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.958  -0.635  -0.138  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.457  -1.341   0.894  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.109  -1.355   1.014  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.643  -2.090   2.040  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.185  -0.692   0.170  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.778   0.018  -0.882  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.166   0.054  -1.044  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.443   0.761  -0.623  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.010   0.606  -0.608  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.449   1.438  -0.476  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.450  -0.620  -0.272  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.116  -1.631  -0.083  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.597   1.675   1.513  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.855   1.004   1.011  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.432   1.386  -0.208  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -2.866   2.358  -0.941  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.593   0.775  -0.679  0.00  0.00    +0.104 A 
ATOM     24  N   LIG    1       -5.157   1.167  -1.908  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -4.715   1.900  -2.451  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.301   0.610  -2.439  0.00  0.00    +0.275 A 
ATOM     27  C   LIG    1       -6.899  -0.420  -1.641  0.00  0.00    +0.132 A 
ATOM     28  N   LIG    1       -6.357  -0.803  -0.443  0.00  0.00    -0.225 N 
ATOM     29  N   LIG    1       -7.059  -1.784   0.165  0.00  0.00    -0.174 NA
ATOM     30  C   LIG    1       -8.068  -2.019  -0.679  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1       -8.020  -1.199  -1.821  0.00  0.00    +0.054 A 
ATOM     32  O   LIG    1       -6.742   0.993  -3.518  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -5.192  -0.228   0.085  0.00  0.00    +0.092 A 
ATOM     34  C   LIG    1       -4.652  -0.624   1.308  0.00  0.00    +0.030 A 
ATOM     35  C   LIG    1       -3.487  -0.002   1.768  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4