REMARK  Name = BDB045504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.370   0.159   0.071  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.502   0.872   0.869  0.00  0.00    -0.323 N 
ATOM      3  H   LIG    1       -0.150   1.378   1.669  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.865   0.869   0.746  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -2.376   0.039  -0.345  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.740  -0.031  -0.564  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.618   0.740   0.327  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1       -3.992   1.468   1.317  0.00  0.00    -0.241 N 
ATOM      9  H   LIG    1       -4.585   2.006   1.943  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1       -5.835   0.724   0.186  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -4.229  -0.823  -1.603  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -3.329  -1.535  -2.404  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -1.950  -1.454  -2.164  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.453  -0.664  -1.127  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1       -2.643   1.546   1.539  0.00  0.00    -0.153 NA
ATOM     16  N   LIG    1       -0.057  -0.604  -0.905  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.624   0.358   0.736  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.037  -0.778   0.175  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        2.659  -0.830  -0.057  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        1.842   0.241   0.317  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        2.415   1.363   0.923  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.796   1.405   1.149  0.00  0.00    +0.023 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.980   0.356   1.076  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1        6.550  -0.254   0.498  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1        6.386   1.282   1.171  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 2