REMARK  Name = BDB013850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.009  -2.026  -0.118  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -1.818  -1.999   0.891  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.934   0.217   0.358  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -2.558  -0.799  -0.543  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -2.846  -0.546  -1.887  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -3.399   0.593  -2.373  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -3.715   1.542  -1.475  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -3.512   1.404  -0.116  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -2.132  -0.886   2.354  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -2.693   0.054   1.817  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.168   1.079   2.550  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -2.941   0.833   3.472  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -0.837  -2.534  -0.835  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.383  -1.680  -0.577  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        0.879  -0.822  -1.565  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        1.997  -0.020  -1.312  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.650  -0.039  -0.070  0.00  0.00    -0.044 A 
ATOM     18  C   LIG    1        2.144  -0.908   0.909  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        1.027  -1.713   0.666  0.00  0.00    +0.005 A 
BRANCH  17  20
ATOM     20  C   LIG    1        3.864   0.819   0.192  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        3.793   2.314  -0.014  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        3.885   1.760   1.375  0.00  0.00    +0.009 C 
ENDBRANCH  17  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 6