REMARK  Name = BDB036828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.045  -2.211   0.821  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.452  -0.833   0.555  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.582   0.124   0.037  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -0.964   1.088  -0.620  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.865   0.002   0.284  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        1.772   0.166  -0.759  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.145   0.077  -0.497  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.557  -0.163   0.835  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1        4.918  -0.256   1.092  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        5.870  -0.115   0.076  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.459   0.124  -1.230  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        2.681  -0.299   1.848  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1        4.099   0.221  -1.518  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.361  -0.199   1.560  0.00  0.00    +0.124 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -2.906  -0.597   0.476  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -3.410  -0.548  -0.971  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.211  -1.465  -1.770  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -4.088   0.580  -1.358  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.398   0.592  -2.319  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.136   1.792  -0.722  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -4.641   2.767  -1.277  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.518   1.888   0.650  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -3.429   0.545   1.351  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2