REMARK  Name = BDB020074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.541   1.529   0.476  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.154   1.437   0.304  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.547   0.320   0.769  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.132  -0.707   1.437  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.525  -0.652   1.601  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.212   0.476   1.122  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.608   4.092   2.013  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.331   3.916   0.703  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.283   2.698  -0.015  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -2.970   2.602  -1.241  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.686   3.685  -1.751  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -3.719   4.874  -1.039  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -4.404   5.917  -1.526  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.050   5.001   0.173  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.015   0.261   0.552  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.532  -0.992   0.304  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.891  -1.738   0.068  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.679   1.291   0.567  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.907  -1.168  -0.103  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.017  -1.232  -1.605  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.968  -2.465  -2.275  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        4.040  -2.512  -3.668  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.155  -1.331  -4.391  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1        4.224  -1.380  -5.728  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        4.195  -0.100  -3.749  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.122  -0.049  -2.356  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  27
ATOM     27  C   LIG    1       -2.292  -1.736   2.332  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.716  -3.054   2.167  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1       -1.668  -3.774   0.991  0.00  0.00    +0.296 A 
ATOM     30  N   LIG    1       -2.002  -3.450  -0.204  0.00  0.00    -0.250 NA
ATOM     31  H   LIG    1       -2.347  -2.490  -0.218  0.00  0.00    +0.191 HD
ATOM     32  O   LIG    1       -1.150  -5.043   1.225  0.00  0.00    -0.431 OA
ATOM     33  C   LIG    1       -0.929  -5.007   2.606  0.00  0.00    +0.217 A 
ATOM     34  C   LIG    1       -1.258  -3.854   3.173  0.00  0.00    +0.129 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6