REMARK  Name = BDB036967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.779  -0.739   0.109  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.476  -0.539   0.627  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1        1.206   0.041  -0.389  0.00  0.00    +0.089 A 
ATOM      4  N   LIG    1        0.412   0.190  -1.506  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -0.762  -0.301  -1.183  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -5.470   0.565  -0.220  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -4.416   0.038   0.120  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.080  -1.219  -0.317  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.759  -1.671  -0.916  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.946  -1.945  -0.037  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -2.786  -3.059  -0.530  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -1.907  -1.286   0.855  0.00  0.00    +0.174 C 
ATOM     13  C   LIG    1       -2.564  -0.253   1.774  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.397   0.744   0.982  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        2.600   0.459  -0.340  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.399   0.272   0.797  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.734   0.688   0.808  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.288   1.294  -0.317  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.508   1.486  -1.455  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.174   1.070  -1.465  0.00  0.00    +0.010 A 
ENDBRANCH   3  15
TORSDOF 2