REMARK  Name = BDB036955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.643   1.298   1.030  0.00  0.00    -0.259 N 
ATOM      2  N   LIG    1       -0.097   0.343   0.260  0.00  0.00    -0.171 NA
ATOM      3  C   LIG    1        1.183   0.718   0.087  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1        1.429   1.934   0.783  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.240   2.275   1.381  0.00  0.00    +0.110 A 
ENDROOT
BRANCH   1  12
ATOM      6  O   LIG    1       -3.879  -2.165  -0.164  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -3.307  -1.192   0.322  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.438   0.052  -0.238  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.031   0.104  -1.055  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -2.944   1.248   0.224  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.248   2.304  -0.333  0.00  0.00    -0.273 OA
ATOM     12  C   LIG    1       -2.037   1.203   1.434  0.00  0.00    +0.193 C 
ATOM     13  C   LIG    1       -2.350  -0.004   2.321  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -2.420  -1.307   1.538  0.00  0.00    +0.099 C 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        2.117  -0.081  -0.718  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.465   0.287  -0.853  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.343  -0.483  -1.622  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.888  -1.631  -2.267  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.554  -2.010  -2.145  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.676  -1.241  -1.376  0.00  0.00    +0.010 A 
ENDBRANCH   3  15
TORSDOF 2