REMARK  Name = BDB027838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.866   0.756   0.213  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -0.485   2.070   0.623  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        0.889   2.377   0.734  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.249   3.674   1.109  0.00  0.00    +0.119 A 
ATOM      5  N   LIG    1        0.377   4.666   1.393  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -0.927   4.353   1.307  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.862   1.396   0.483  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        1.502   0.089   0.138  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -1.397   3.101   0.937  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.136  -0.212   0.027  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.524  -0.942  -0.106  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        2.536  -1.680  -1.296  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.517  -2.640  -1.484  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.477  -2.919  -0.578  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.454  -2.203   0.565  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.516  -1.220   0.842  0.00  0.00    +0.028 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.248   0.418   0.109  0.00  0.00    -0.330 N 
ATOM     18  H   LIG    1       -2.776   1.219  -0.240  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.722  -0.892  -0.470  0.00  0.00    +0.128 C 
ATOM     20  C   LIG    1       -3.959  -1.474   0.207  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -2.632  -2.140   0.395  0.00  0.00    +0.037 C 
BRANCH  19  23
ATOM     22  F   LIG    1       -3.143   0.046  -2.610  0.00  0.00    -0.168 F 
ATOM     23  C   LIG    1       -2.634  -1.051  -1.997  0.00  0.00    +0.411 C 
ATOM     24  F   LIG    1       -1.352  -1.202  -2.406  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -3.330  -2.127  -2.435  0.00  0.00    -0.168 F 
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4