REMARK  Name = BDB047860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.885  -1.219  -0.714  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        3.215  -1.103  -1.944  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.847  -1.433  -2.041  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        0.912  -1.421  -3.110  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.298  -1.840  -2.611  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -0.141  -2.093  -1.269  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        1.174  -1.878  -0.899  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.830  -2.018   0.333  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        3.187  -1.683   0.404  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        5.346  -0.833  -0.609  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.634   0.430   0.227  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.758   1.599  -0.242  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1        3.972   2.256   0.421  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1        4.971   1.923  -1.538  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1        4.337   2.656  -1.690  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1        5.481   0.106   1.612  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1        6.280   2.179   2.656  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        6.457   0.683   2.476  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -1.216  -2.543  -0.393  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.177  -1.447  -0.097  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1       -1.967  -0.198   0.454  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1       -0.790   0.549   0.934  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1       -3.176   0.435   0.533  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1       -4.072  -0.468   0.027  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1       -3.526  -1.607  -0.353  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.473  -0.056  -0.017  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1       -5.891   1.209   0.437  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.241   1.589   0.381  0.00  0.00    -0.015 A 
ATOM     29  C   LIG    1       -7.686   2.925   0.893  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -8.175   0.678  -0.114  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -9.473   1.007  -0.157  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.786  -0.577  -0.568  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.439  -0.941  -0.521  0.00  0.00    +0.016 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9