REMARK  Name = BDB058030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088  -1.659   0.110  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        0.166  -1.871  -0.479  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.337  -1.652   0.255  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.277  -1.272   1.597  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.035  -1.074   2.195  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.138  -1.268   1.456  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.829   1.076   0.655  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.082   0.105   0.011  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -3.781  -0.256   0.283  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -3.466  -1.280  -0.600  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -4.623  -1.585  -1.480  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -4.722  -2.409  -2.362  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.291  -1.917  -0.696  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -5.638  -0.644  -1.025  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -6.932  -0.465  -1.473  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -7.692   0.522  -0.845  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.147   1.287   0.208  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -6.105   2.381   2.691  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -5.675   2.823   3.494  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -7.051   2.046   2.799  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -5.240   1.871   1.760  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -4.036   2.055   1.865  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1        2.640  -1.897  -0.398  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        3.577  -0.859  -0.459  0.00  0.00    -0.288 N 
ATOM     25  C   LIG    1        3.154   0.553  -0.426  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1        4.324   1.467  -0.331  0.00  0.00    +0.151 A 
ATOM     27  N   LIG    1        4.326   2.771  -0.158  0.00  0.00    -0.132 NA
ATOM     28  N   LIG    1        5.636   3.196  -0.144  0.00  0.00    -0.125 NA
ATOM     29  C   LIG    1        6.417   2.143  -0.309  0.00  0.00    +0.238 A 
ATOM     30  N   LIG    1        5.619   1.041  -0.442  0.00  0.00    -0.305 N 
ATOM     31  C   LIG    1        5.993  -0.344  -0.621  0.00  0.00    +0.144 C 
ATOM     32  C   LIG    1        4.822  -1.147  -1.179  0.00  0.00    +0.130 C 
ATOM     33  O   LIG    1        2.844  -3.017  -0.860  0.00  0.00    -0.270 OA
BRANCH  29  34
ATOM     34  C   LIG    1        7.897   2.088  -0.352  0.00  0.00    +0.452 C 
ATOM     35  F   LIG    1        8.384   1.166   0.522  0.00  0.00    -0.163 F 
ATOM     36  F   LIG    1        8.497   3.267  -0.056  0.00  0.00    -0.163 F 
ATOM     37  F   LIG    1        8.344   1.712  -1.581  0.00  0.00    -0.163 F 
ENDBRANCH  29  34
ENDBRANCH   3  23
TORSDOF 4