REMARK  Name = BDB049921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.655  -0.231   0.784  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.280  -0.037   0.548  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1        1.363  -0.859   1.197  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        0.138  -0.419   0.767  0.00  0.00    -0.340 N 
ATOM      5  H   LIG    1       -0.755  -0.814   1.032  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.325   0.632  -0.102  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        1.729  -1.882   2.075  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        3.098  -2.065   2.296  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        1.618   0.869  -0.263  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        4.046  -1.257   1.665  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.821   1.348  -0.817  0.00  0.00    +0.083 C 
ATOM     12  C   LIG    1       -2.019   1.636   0.136  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -2.870   0.412  -0.048  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -2.515  -0.277  -1.214  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -3.182  -1.428  -1.594  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.215  -1.893  -0.778  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.572  -1.201   0.390  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.901  -0.034   0.761  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -1.397   0.423  -1.935  0.00  0.00    +0.065 C 
BRANCH  11  20
ATOM     20  N   LIG    1       -0.304   2.617  -1.359  0.00  0.00    -0.318 NA
ATOM     21  H   LIG    1       -0.887   2.935  -2.130  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        0.623   2.431  -1.749  0.00  0.00    +0.119 HD
ENDBRANCH  11  20
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  N   LIG    1        4.269   1.623  -0.667  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        3.276   1.812  -0.788  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.951   2.239  -1.082  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        4.693   0.609   0.142  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.888   0.412   0.333  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3