REMARK  Name = BDB036408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.734   0.715  -0.311  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.180   1.998  -0.025  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.156   2.568  -0.472  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.234   2.572   0.938  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.286   1.598   1.253  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.257   1.876   2.148  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.217   3.167   2.706  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.187   4.135   2.381  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.214   3.840   1.484  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.598   0.333   0.518  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.992  -3.990  -2.015  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.611  -2.852  -1.761  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.997  -2.217  -0.607  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.532  -2.787   0.035  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.396  -1.114  -0.043  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.535  -0.876   1.155  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.572  -0.249  -1.013  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.769  -1.164  -1.932  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.721  -2.069  -2.699  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.791   0.849   2.470  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.726   0.743   1.372  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.145   1.604   1.050  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.305  -0.461   1.039  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.022  -1.520   1.585  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.334  -0.430  -0.038  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.306  -1.444  -0.059  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1        5.292  -1.471  -1.059  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        5.280  -0.476  -2.034  0.00  0.00    +0.135 A 
ATOM     29  F   LIG    1        6.207  -0.475  -3.001  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.313   0.527  -2.034  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        3.335   0.551  -1.038  0.00  0.00    +0.016 A 
BRANCH  27  32
ATOM     32  C   LIG    1        6.348  -2.534  -1.110  0.00  0.00    +0.420 C 
ATOM     33  F   LIG    1        6.244  -3.439  -0.096  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.309  -3.264  -2.258  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        7.609  -2.029  -1.018  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5