REMARK  Name = BDB049298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.843  -1.234   1.137  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.431  -1.200   1.359  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.173  -2.025   2.447  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1        0.018  -2.294   3.010  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1        1.043  -1.647   2.397  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.955  -0.779   1.303  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.362  -2.542   2.879  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1       -2.443  -3.176   3.659  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.326  -0.552   0.773  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -3.386  -2.070   2.098  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.163   0.711  -1.838  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -4.034  -0.011  -2.207  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -3.272  -0.652  -1.228  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.642  -0.571   0.121  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -4.785   0.159   0.475  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.548   0.802  -0.504  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1       -5.876   1.321  -2.827  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1       -6.632   1.781  -2.425  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1        2.146  -0.132   0.732  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        2.419  -0.200  -0.643  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        3.553   0.414  -1.193  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.450   1.119  -0.380  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.179   1.189   0.994  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        3.046   0.575   1.541  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.645   1.775  -0.906  0.00  0.00    +0.179 A 
ATOM     26  N   LIG    1        6.017   1.832  -2.223  0.00  0.00    -0.239 N 
ATOM     27  H   LIG    1        5.564   1.454  -3.043  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1        7.163   2.509  -2.361  0.00  0.00    -0.046 NA
ATOM     29  N   LIG    1        7.496   2.871  -1.133  0.00  0.00    -0.023 NA
ATOM     30  N   LIG    1        6.569   2.426  -0.223  0.00  0.00    -0.108 NA
ENDBRANCH  22  25
ENDBRANCH   6  19
TORSDOF 4