REMARK  Name = BDB052862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.285  -1.032  -0.622  0.00  0.00    +0.191 C 
ATOM      2  C   LIG    1       -1.285  -1.850   0.699  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.894  -1.496   1.806  0.00  0.00    -0.272 OA
ATOM      4  N   LIG    1       -1.826  -3.068   0.407  0.00  0.00    -0.245 N 
ATOM      5  C   LIG    1       -1.965  -4.137   1.369  0.00  0.00    +0.141 C 
ATOM      6  C   LIG    1       -2.185  -3.080  -0.887  0.00  0.00    +0.183 C 
ATOM      7  N   LIG    1       -1.951  -2.008  -1.567  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        2.469  -0.092  -0.756  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        1.198  -0.409  -0.261  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        0.134  -0.708  -1.132  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        0.385  -0.650  -2.517  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.653  -0.335  -3.012  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.695  -0.059  -2.131  0.00  0.00    +0.017 A 
BRANCH   8  15
ATOM     14  C   LIG    1        4.435   0.454   0.907  0.00  0.00    -0.069 C 
ATOM     15  C   LIG    1        3.536   0.203   0.149  0.00  0.00    -0.064 C 
BRANCH  14  16
ATOM     16  C   LIG    1        5.525   0.761   1.834  0.00  0.00    +0.248 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.834   1.201   1.954  0.00  0.00    +0.195 C 
ATOM     18  O   LIG    1        6.743   0.886   1.102  0.00  0.00    -0.371 OA
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   1  19
ATOM     19  C   LIG    1       -2.124   0.257  -0.491  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.916   1.162   0.564  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.663   2.343   0.671  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -3.636   2.646  -0.278  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -3.832   1.774  -1.348  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.087   0.596  -1.456  0.00  0.00    +0.010 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -4.429   3.759  -0.289  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.526   4.470   0.933  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1       -5.535   5.368   0.800  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.392   5.188   1.123  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  19
BRANCH   6  29
ATOM     29  N   LIG    1       -2.776  -4.157  -1.454  0.00  0.00    -0.331 N 
ATOM     30  H   LIG    1       -3.181  -3.944  -2.360  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1       -3.390  -4.704  -0.865  0.00  0.00    +0.145 HD
ENDBRANCH   6  29
TORSDOF 8