REMARK  Name = BDB033081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.531  -0.794   0.135  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.754  -0.033   0.445  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.634  -1.055   0.953  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.921  -2.125   1.474  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        1.379  -3.057   2.113  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.544  -1.912   1.179  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.909  -0.402  -0.391  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1       -1.726   0.033   0.173  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1       -1.761   0.801   0.832  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.974  -1.457  -1.018  0.00  0.00    -0.275 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.828   1.918  -0.733  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -4.124   0.515  -0.176  0.00  0.00    +0.064 C 
ATOM     13  C   LIG    1       -4.444   0.613   1.326  0.00  0.00    +0.023 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.324  -0.101  -0.924  0.00  0.00    +0.171 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -6.493   0.702  -0.774  0.00  0.00    -0.394 OA
ATOM     16  H   LIG    1       -7.204   0.255  -1.266  0.00  0.00    +0.209 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        3.024  -0.802   1.284  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.846  -0.458   0.060  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        4.342   0.841  -0.195  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        5.092   1.066  -1.366  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.344   0.033  -2.269  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.851  -1.242  -2.019  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.109  -1.486  -0.866  0.00  0.00    +0.006 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.091   1.992   0.752  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1        2.763   2.218   0.957  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.601   3.180   0.322  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        4.630   1.783   1.984  0.00  0.00    -0.166 F 
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7