REMARK  Name = BDB017076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.188  -2.068   2.955  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.197  -1.241   2.310  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.201  -1.287   0.989  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.165  -0.286   0.894  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -1.362   0.319   2.123  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.527  -0.272   2.942  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.344  -2.217  -0.002  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        1.686  -2.160  -0.421  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1        2.193  -3.081  -1.338  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1        1.344  -4.042  -1.869  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1        1.821  -4.923  -2.758  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        0.008  -4.109  -1.490  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -0.491  -3.200  -0.555  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1        2.561  -1.250   0.116  0.00  0.00    -0.487 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.491  -0.006  -0.592  0.00  0.00    +0.264 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.068   1.062   0.303  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        4.456   1.191   0.454  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        4.989   2.166   1.299  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.140   3.015   2.007  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.759   2.888   1.874  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.224   1.915   1.028  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  C   LIG    1       -1.890   0.141  -0.302  0.00  0.00    +0.092 A 
ATOM     23  N   LIG    1       -1.400  -0.238  -1.509  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1       -2.062   0.173  -2.609  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -3.199   0.958  -2.573  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -3.696   1.352  -1.329  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.025   0.936  -0.176  0.00  0.00    +0.041 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.888   2.180  -1.233  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -5.590   2.634  -2.288  0.00  0.00    -0.133 NA
ATOM     30  N   LIG    1       -6.553   3.320  -1.654  0.00  0.00    -0.176 N 
ATOM     31  H   LIG    1       -7.286   3.815  -2.154  0.00  0.00    +0.214 HD
ATOM     32  N   LIG    1       -6.496   3.316  -0.319  0.00  0.00    -0.049 NA
ATOM     33  N   LIG    1       -5.428   2.586  -0.034  0.00  0.00    -0.108 NA
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 6