REMARK  Name = BDB061640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.463   2.379  -1.203  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.876   1.369  -0.258  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        2.323   0.038  -0.183  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.581  -0.908   0.544  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        1.844  -2.386   0.472  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.524  -0.470   1.359  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.149   0.877   1.398  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1        0.811   1.781   0.561  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1        3.385  -0.365  -0.949  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.702  -0.298  -0.347  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1        5.080   1.041   0.301  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        4.931  -1.431   0.662  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1        5.661  -0.515  -1.529  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        6.546  -1.355  -1.616  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.479   0.356  -2.548  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        6.125   0.066  -3.224  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1       -1.006   1.331   2.257  0.00  0.00    +0.184 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.261   1.287   1.544  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1       -3.101   0.171   1.442  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1       -2.938  -0.887   2.033  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1       -4.098   0.547   0.555  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1       -3.767   1.807   0.188  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1       -2.696   2.299   0.728  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.205  -0.218   0.111  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -5.425  -1.528   0.572  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -6.520  -2.282   0.133  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -7.411  -1.733  -0.774  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -8.459  -2.452  -1.195  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.227  -0.445  -1.250  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -6.131   0.308  -0.810  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7