REMARK  Name = BDB001872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.477  -0.132  -0.157  0.00  0.00    -0.306 N 
ATOM      2  H   LIG    1       -0.676   0.409  -0.991  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   1  10
ATOM      3  O   LIG    1       -3.406  -2.732   1.895  0.00  0.00    -0.245 OA
ATOM      4  C   LIG    1       -2.952  -1.714   1.412  0.00  0.00    +0.342 C 
ATOM      5  C   LIG    1       -3.672  -0.763   0.580  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.820   0.271   0.256  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -3.271   1.334  -0.513  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.599   1.316  -0.955  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -5.453   0.251  -0.622  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.493   0.012   0.869  0.00  0.00    +0.296 C 
ATOM     11  C   LIG    1       -4.990  -0.807   0.160  0.00  0.00    +0.015 A 
ATOM     12  O   LIG    1       -1.688  -1.230   1.569  0.00  0.00    -0.435 OA
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  C   LIG    1        0.876  -0.095   0.185  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        1.818   0.123  -0.831  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        3.203   0.119  -0.572  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.679  -0.136   0.728  0.00  0.00    +0.071 A 
ATOM     17  N   LIG    1        4.990  -0.145   1.029  0.00  0.00    -0.255 NA
ATOM     18  C   LIG    1        5.870   0.093   0.032  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        5.503   0.347  -1.275  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        2.745  -0.395   1.718  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.147   0.359  -1.580  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        1.367  -0.393   1.456  0.00  0.00    +0.025 A 
ENDBRANCH   1  13
TORSDOF 2