REMARK  Name = BDB008881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.052  -1.050   0.876  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        2.281  -2.402   0.594  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        3.482  -2.786   0.131  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        1.293  -3.363   0.777  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.044  -2.978   1.257  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.217  -1.630   1.551  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.799  -0.674   1.366  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.107   1.223   0.763  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        3.121  -0.156   0.650  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        3.981  -0.595   0.330  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.141   1.916   1.060  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.470   1.820   0.475  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.448   3.343   0.520  0.00  0.00    +0.129 C 
BRANCH  13  15
ATOM     14  O   LIG    1        6.840   3.276   0.054  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1        5.814   3.903   0.253  0.00  0.00    +0.305 C 
BRANCH  15  16
ATOM     16  O   LIG    1        5.818   5.249   0.250  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1        6.753   5.491   0.079  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -1.566  -1.208   2.091  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.725  -1.561   1.163  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.982  -0.731  -0.057  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -2.133   0.469  -0.371  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -2.742   1.381  -1.442  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.309   0.568  -2.600  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.386  -0.403  -2.112  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -4.007  -1.111  -0.841  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.828  -2.292  -0.473  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -5.770  -2.667  -1.163  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -4.470  -2.934   0.680  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.019  -3.743   0.950  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -3.435  -2.598   1.496  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 7