REMARK  Name = BDB064488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.959   2.169   1.171  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.249   0.847   1.756  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.700   0.393   1.465  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.960   0.377   0.010  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        2.645   1.680  -0.628  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.203   2.128  -0.282  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.154  -0.202  -0.444  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        4.284  -0.545  -1.800  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.448  -1.137  -2.306  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.525  -1.420  -1.460  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        6.410  -1.088  -0.105  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        5.240  -0.498   0.392  0.00  0.00    +0.023 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.790  -2.036  -2.000  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.691  -1.098  -2.404  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.578  -2.839  -3.080  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.441  -2.809  -1.086  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.356   2.707   1.538  0.00  0.00    +0.119 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -3.859   0.525   0.184  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1       -3.266   0.220   1.403  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -2.136   0.925   1.840  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -1.576   1.948   1.063  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -2.182   2.258  -0.159  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -3.308   1.552  -0.589  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -4.949  -0.054  -0.383  0.00  0.00    -0.475 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.415  -0.829   1.438  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1       -5.669  -1.178   0.146  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -4.805  -2.440   0.239  0.00  0.00    +0.067 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -6.743  -1.452  -0.930  0.00  0.00    +0.348 C 
ATOM     29  O   LIG    1       -6.917  -0.859  -1.984  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.567  -2.482  -0.624  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -8.173  -2.520  -1.395  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 8