REMARK  Name = BDB026455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.670   0.497   0.675  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.274   0.400   0.712  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.484   1.150   0.165  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.956  -0.721   1.481  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        2.147  -1.482   1.782  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.253  -0.451   1.603  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.330   1.725   0.287  0.00  0.00    +0.144 C 
BRANCH   7  12
ATOM      8  C   LIG    1        7.151   0.993  -1.597  0.00  0.00    +0.087 A 
ATOM      9  C   LIG    1        7.085   1.597  -0.344  0.00  0.00    +0.141 A 
ATOM     10  F   LIG    1        8.207   1.954   0.299  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        5.859   1.841   0.273  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        4.667   1.479  -0.367  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        4.732   0.869  -1.630  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.966   0.628  -2.243  0.00  0.00    +0.022 A 
BRANCH   8  16
ATOM     15  N   LIG    1        9.428   0.532  -2.741  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.416   0.748  -2.214  0.00  0.00    +0.102 C 
ENDBRANCH   8  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -0.382  -1.300   1.520  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.772  -1.999   0.205  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.041  -3.175   0.033  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.103  -3.486  -0.877  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.257  -2.434   0.195  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.256  -1.377   0.423  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.175  -0.311  -0.597  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.308   0.694  -0.530  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.507   0.395   0.139  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.547   1.334   0.159  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.408   2.554  -0.502  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.227   2.848  -1.179  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.641  -0.903   0.890  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -4.182   1.923  -1.195  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.613  -1.948   0.440  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8