REMARK  Name = BDB036248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.446  -0.056  -0.587  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.810  -0.040   0.685  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1        0.438   0.106   0.689  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.035   0.072   2.003  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        1.190  -0.068   2.744  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -0.324   0.247  -0.491  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.278   0.221  -1.650  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.287  -0.134   1.911  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        1.649   0.074  -1.667  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.346   2.181   0.031  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        4.801   0.859  -0.519  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1        3.903  -0.192  -0.795  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1        4.397  -1.417  -1.284  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        5.764  -1.606  -1.494  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.652  -0.574  -1.211  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        6.169   0.638  -0.726  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1        7.053   1.610  -0.455  0.00  0.00    -0.205 F 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.690   0.404  -0.380  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.031   0.776   0.500  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.490   0.819  -1.518  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.946   0.657  -1.192  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.542  -0.594  -1.054  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.944  -1.949  -1.131  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.225  -2.780  -1.183  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.310  -2.014  -0.609  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.886  -0.716  -0.725  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.695   0.382  -0.516  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.123   1.646  -0.656  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.768   1.773  -0.990  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.252   3.006  -1.101  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
BRANCH   5  31
ATOM     31  C   LIG    1        1.357  -0.121   4.223  0.00  0.00    +0.135 C 
BRANCH  31  32
ATOM     32  N   LIG    1        1.610   1.234   4.706  0.00  0.00    -0.325 NA
ATOM     33  H   LIG    1        2.407   1.597   4.179  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1        1.919   1.182   5.673  0.00  0.00    +0.119 HD
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 6