REMARK  Name = BDB042685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.929   0.341   0.442  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -1.632   0.563   1.257  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1       -0.516  -0.431   0.943  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -0.506  -0.801  -0.466  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.629  -0.911  -1.264  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.572  -1.360  -2.409  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.753  -1.338  -1.001  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.953  -1.103  -0.088  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -4.174   2.041   1.788  0.00  0.00    +0.129 C 
ATOM     10  N   LIG    1       -4.118   0.652   1.292  0.00  0.00    -0.330 N 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.371   0.344   0.710  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.773   0.812  -0.549  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -7.031   0.483  -1.064  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -7.907  -0.314  -0.322  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -7.521  -0.778   0.938  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.263  -0.446   1.448  0.00  0.00    +0.024 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -9.197  -0.651  -0.850  0.00  0.00    +0.099 C 
ATOM     18  N   LIG    1      -10.241  -0.922  -1.278  0.00  0.00    -0.191 NA
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   5  19
ATOM     19  C   LIG    1        1.942  -0.440  -0.666  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.097  -0.576  -1.661  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.407  -0.133  -1.059  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        4.589   1.219  -0.881  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        3.867   1.872  -1.162  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        5.719   1.808  -0.350  0.00  0.00    +0.259 A 
ATOM     25  O   LIG    1        5.785   3.024  -0.222  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        6.813   0.889   0.044  0.00  0.00    +0.082 A 
ATOM     27  C   LIG    1        6.632  -0.491  -0.147  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1        7.655  -1.377   0.216  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        8.845  -0.892   0.765  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        9.017   0.479   0.953  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        8.002   1.364   0.593  0.00  0.00    +0.136 A 
ATOM     32  F   LIG    1        8.211   2.673   0.792  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        5.381  -0.993  -0.721  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 6