REMARK  Name = BDB057088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.208  -0.844   1.765  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.597  -0.154   0.951  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.784   0.036   1.052  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1        1.202   0.474  -0.112  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        0.591   0.779  -0.846  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.652   0.888   0.202  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -1.838   0.347  -1.227  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.920   1.469  -2.261  0.00  0.00    +0.082 C 
ATOM      9  N   LIG    1       -2.777   2.542  -1.781  0.00  0.00    -0.316 NA
ATOM     10  H   LIG    1       -2.944   3.230  -2.515  0.00  0.00    +0.122 HD
ATOM     11  C   LIG    1       -2.270   3.205  -0.580  0.00  0.00    +0.082 C 
ATOM     12  C   LIG    1       -1.271   2.375   0.231  0.00  0.00    +0.037 C 
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1        2.581   0.564  -0.398  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.590   0.182   0.488  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.948   0.312   0.140  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        5.282   0.828  -1.120  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.282   1.221  -2.006  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.940   1.093  -1.644  0.00  0.00    +0.023 A 
BRANCH  15  19
ATOM     19  C   LIG    1        6.019  -0.128   1.107  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        6.178  -1.480   1.128  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.248   0.385   0.814  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        5.764   0.244   2.392  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   3  23
ATOM     23  C   LIG    1       -1.475  -0.745   2.086  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.204  -1.937   1.505  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -3.602  -1.946   1.405  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.265  -3.044   0.853  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.538  -4.142   0.398  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.148  -4.146   0.494  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.484  -3.049   1.044  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5