REMARK  Name = BDB025586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.954  -0.742   0.370  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        1.021   0.120  -0.701  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        2.321   0.539  -1.260  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.994   1.195  -2.615  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        0.572   0.758  -2.921  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.061   0.614  -1.541  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        2.014  -1.143   0.879  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.048   1.538  -0.323  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.639   0.957   0.779  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        3.281   0.029   1.028  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        3.095   2.750  -0.524  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        4.163   1.785   1.863  0.00  0.00    +0.217 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.036   1.045   2.873  0.00  0.00    +0.405 C 
ATOM     14  F   LIG    1        5.440   1.875   3.862  0.00  0.00    -0.169 F 
ATOM     15  F   LIG    1        6.144   0.533   2.293  0.00  0.00    -0.169 F 
ATOM     16  F   LIG    1        4.363   0.023   3.449  0.00  0.00    -0.169 F 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  O   LIG    1        0.581  -0.506  -3.584  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        1.003  -0.378  -4.452  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.377  -1.259   0.955  0.00  0.00    +0.200 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.357  -0.191   1.100  0.00  0.00    -0.239 N 
ATOM     21  N   LIG    1       -1.052   0.848   1.912  0.00  0.00    -0.065 NA
ATOM     22  N   LIG    1       -2.068   1.699   1.892  0.00  0.00    -0.134 NA
ATOM     23  C   LIG    1       -3.021   1.182   1.074  0.00  0.00    +0.086 A 
ATOM     24  C   LIG    1       -2.602  -0.022   0.567  0.00  0.00    +0.134 A 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.376   1.857   0.780  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.734   2.216  -0.639  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -4.388   3.298   0.341  0.00  0.00    +0.010 C 
ENDBRANCH  23  25
ENDBRANCH  19  20
BRANCH  19  29
ATOM     28  C   LIG    1        0.346  -3.688   0.649  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -0.809  -2.677   0.414  0.00  0.00    -0.007 C 
ATOM     30  C   LIG    1       -2.019  -3.222   1.206  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -1.127  -2.713  -1.088  0.00  0.00    +0.013 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8