REMARK  Name = BDB017068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.664   0.610  -0.941  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.586   0.087  -0.741  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.246   1.014   0.044  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.412   2.085   0.302  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.718   1.817  -0.311  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.614   0.904   0.548  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.920   1.669   1.624  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.173   1.595   2.116  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.156   0.781   1.588  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.839  -0.008   0.481  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.545   0.058  -0.046  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.834  -0.884  -0.118  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        7.105  -1.006   0.305  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.561  -1.912  -0.572  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.519  -2.251  -0.552  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.681  -2.349  -1.478  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.563  -1.695  -1.198  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.734  -0.003  -1.702  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.503  -1.074  -0.920  0.00  0.00    +0.057 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.806  -0.210  -0.164  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1       -3.451  -0.506   0.119  0.00  0.00    -0.034 A 
ATOM     22  C   LIG    1       -2.951  -0.249   1.409  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.765   0.293   2.401  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.096   0.583   2.126  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.613   0.331   0.856  0.00  0.00    +0.012 A 
BRANCH  20  27
ATOM     26  F   LIG    1       -6.680   0.036  -1.663  0.00  0.00    -0.166 F 
ATOM     27  C   LIG    1       -5.426  -0.477  -1.519  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -5.536  -1.808  -1.789  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.696   0.051  -2.543  0.00  0.00    -0.166 F 
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6