REMARK  Name = BDB034492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.193  -0.664   0.691  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.097   0.248  -0.451  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -0.117   0.540  -1.077  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.197   0.847  -2.265  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.372   0.513  -0.288  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.507  -0.078  -0.854  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.697  -0.071  -0.124  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -3.787   0.519   1.151  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -4.975   0.532   1.915  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -6.063  -0.008   1.435  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -6.035  -0.618   0.138  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -6.978  -1.246  -0.642  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -6.427  -1.669  -1.827  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -5.168  -1.284  -1.778  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -2.647   1.126   1.682  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -4.883  -0.641  -0.605  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.446   1.134   0.967  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -7.178   0.027   2.221  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -7.802  -0.765   2.140  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -6.954   0.263   3.181  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.303   0.491  -1.259  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1        3.567   0.598  -0.482  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        4.347  -0.525  -0.715  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        5.562  -0.714  -0.088  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        6.016   0.276   0.799  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1        5.227   1.430   1.017  0.00  0.00    +0.013 A 
ATOM     27  O   LIG    1        3.788  -1.421  -1.587  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1        3.993   1.593   0.380  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        2.683  -0.688  -2.180  0.00  0.00    +0.256 C 
BRANCH  25  30
ATOM     30  C   LIG    1        7.353   0.127   1.483  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        7.699  -1.171   1.707  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.399   0.737   2.701  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.370   0.667   0.756  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4