REMARK  Name = BDB049901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.261  -0.432   1.038  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.185  -0.915   0.919  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -1.039  -0.006   0.338  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1       -0.618   0.722  -0.228  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1       -0.553  -2.013   1.329  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1       -2.413  -0.382  -0.032  0.00  0.00    +0.187 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.416   0.794   0.167  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -3.400   1.233   1.648  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1       -4.850   0.340  -0.170  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -3.074   2.017  -0.707  0.00  0.00    +0.013 C 
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1       -2.348  -0.889  -1.483  0.00  0.00    +0.328 C 
ATOM     12  O   LIG    1       -1.573  -0.453  -2.329  0.00  0.00    -0.249 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -3.268  -1.869  -1.696  0.00  0.00    -0.467 OA
ATOM     14  C   LIG    1       -3.259  -2.399  -3.023  0.00  0.00    +0.280 C 
ENDBRANCH  11  13
ENDBRANCH   6  11
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.919  -0.453  -0.357  0.00  0.00    +0.013 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.237   0.328  -0.411  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.802   0.355  -1.834  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.141   2.515  -1.601  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        5.171   1.031  -1.930  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  20
ATOM     20  C   LIG    1        2.028  -1.310   2.038  0.00  0.00    +0.110 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.511  -1.097   3.443  0.00  0.00    +0.236 C 
ATOM     22  N   LIG    1        0.552  -1.998   3.847  0.00  0.00    -0.197 N 
ATOM     23  H   LIG    1       -0.077  -2.393   3.141  0.00  0.00    +0.182 HD
ATOM     24  O   LIG    1        1.895  -0.176   4.162  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  O   LIG    1       -0.045  -1.693   5.098  0.00  0.00    -0.295 OA
ATOM     26  H   LIG    1        0.467  -0.907   5.389  0.00  0.00    +0.241 HD
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 12