REMARK  Name = BDB034444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.136   0.676   1.301  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.624   1.861   0.695  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1        2.053   1.590   0.513  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1        2.419   1.122   1.344  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1        2.319   0.772  -0.666  0.00  0.00    +0.116 C 
BRANCH   5   7
ATOM      6  C   LIG    1        4.486  -0.496  -0.134  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.808   0.536  -0.826  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1        4.542   1.396  -1.662  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        5.915   1.226  -1.838  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        6.579   0.199  -1.175  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.871  -0.653  -0.328  0.00  0.00    +0.013 A 
BRANCH   6  13
ATOM     12  F   LIG    1        2.828  -2.196   0.170  0.00  0.00    -0.166 F 
ATOM     13  C   LIG    1        3.757  -1.429   0.806  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        4.577  -2.308   1.451  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        3.084  -0.769   1.792  0.00  0.00    -0.166 F 
ENDBRANCH   6  13
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.600   1.014   1.589  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.348   1.367   0.371  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -3.128   1.976   0.618  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.862   0.238  -0.322  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.076  -0.407   0.036  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -4.447  -1.550  -0.712  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -5.626  -2.210  -0.402  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -6.452  -1.773   0.630  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1       -6.108  -0.656   1.378  0.00  0.00    +0.021 A 
ATOM     25 CL   LIG    1       -7.907  -2.621   0.983  0.00  0.00    -0.083 Cl
ATOM     26  N   LIG    1       -3.704  -2.038  -1.716  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -2.553  -1.406  -2.022  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -4.927   0.024   1.084  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -2.094  -0.287  -1.361  0.00  0.00    +0.043 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8