REMARK  Name = BDB002240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.234  -3.778  -2.674  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.445  -2.963  -2.207  0.00  0.00    +0.256 C 
ATOM      3  C   LIG    1        0.843  -1.811  -1.362  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1        2.168  -1.681  -1.134  0.00  0.00    +0.018 C 
ATOM      5  C   LIG    1       -0.213  -0.902  -0.837  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        0.019  -0.047   0.015  0.00  0.00    -0.269 OA
ATOM      7  N   LIG    1       -1.488  -1.101  -1.351  0.00  0.00    -0.221 N 
ATOM      8  C   LIG    1       -1.871  -2.203  -2.088  0.00  0.00    +0.315 C 
ATOM      9  O   LIG    1       -3.033  -2.439  -2.414  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1       -0.890  -3.073  -2.449  0.00  0.00    -0.236 N 
ATOM     11  H   LIG    1       -1.180  -3.857  -3.015  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.866  -0.654  -0.384  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        4.198  -0.671  -0.208  0.00  0.00    +0.008 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.946   0.355   0.536  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        6.241   0.685   0.114  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        6.997   1.633   0.808  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.470   2.254   1.939  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.190   1.923   2.378  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.434   0.975   1.683  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH   4  12
BRANCH   7  20
ATOM     20  C   LIG    1       -2.541  -0.180  -0.921  0.00  0.00    +0.123 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.198  -0.632   0.389  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.278   0.325   0.828  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -3.963   1.421   1.646  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.959   2.317   2.035  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -6.266   2.120   1.604  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1       -7.220   2.982   1.978  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -6.596   1.045   0.789  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1       -5.602   0.146   0.398  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5