REMARK  Name = BDB050618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.427  -0.495  -0.217  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -3.041   0.324   0.842  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -2.078   1.206   1.372  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.390   2.098   2.388  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.697   2.099   2.878  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.650   1.219   2.350  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.898   1.243   2.838  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.840   0.931   0.636  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.332   1.555   0.831  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -4.337   0.322   1.330  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.139  -0.118  -0.326  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.566   1.260   0.096  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        2.246   0.051   0.291  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.429  -0.233  -0.410  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        3.940   0.721  -1.321  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        5.123   0.435  -2.021  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.794  -0.773  -1.827  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.291  -1.712  -0.931  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.255   1.932  -1.503  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        4.116  -1.444  -0.226  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.078   2.200  -0.799  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -3.152  -1.511  -1.028  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.192  -3.019   0.906  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.457  -2.792  -0.264  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.095  -3.707  -1.039  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.249  -3.416  -1.957  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4