REMARK  Name = BDB061899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.559  -0.473   0.059  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.767  -1.077  -0.920  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.393  -0.440  -1.362  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.774   0.798  -0.821  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.017   1.380   0.182  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.177   0.744   0.627  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.637  -2.280   1.048  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.771  -1.176   0.527  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.996  -0.567   0.331  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        5.225  -1.240   0.716  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.307  -0.565  -0.114  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        5.768   0.848  -0.295  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.272   0.622  -0.464  0.00  0.00    +0.108 C 
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1       -2.043   1.477  -1.282  0.00  0.00    +0.094 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.167   1.332  -0.273  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1       -4.033   0.137  -0.346  0.00  0.00    +0.099 A 
ATOM     17  C   LIG    1       -5.022  -0.001   0.605  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1       -5.843  -1.127   0.555  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -5.636  -2.067  -0.451  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.621  -1.840  -1.370  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -5.182   1.040   1.623  0.00  0.00    +0.274 A 
ATOM     22  O   LIG    1       -6.052   0.954   2.482  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -4.316   2.105   1.544  0.00  0.00    -0.242 N 
ATOM     24  H   LIG    1       -4.407   2.835   2.245  0.00  0.00    +0.192 HD
ATOM     25  N   LIG    1       -3.814  -0.755  -1.348  0.00  0.00    -0.253 NA
ATOM     26  N   LIG    1       -3.316   2.262   0.630  0.00  0.00    -0.173 NA
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 3