REMARK  Name = BDB060582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.944  -0.659   0.159  0.00  0.00    +0.058 C 
ATOM      2  C   LIG    1        2.407   0.623  -0.536  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1        1.135   1.475  -0.688  0.00  0.00    +0.116 C 
ATOM      4  N   LIG    1        0.024   0.633  -0.215  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.487  -0.756  -0.288  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   2   6
ATOM      6  O   LIG    1        2.938   0.295  -1.827  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        2.219  -0.085  -2.361  0.00  0.00    +0.210 HD
ENDBRANCH   2   6
BRANCH   1   8
ATOM      8  C   LIG    1        2.056  -0.552   1.683  0.00  0.00    +0.163 C 
BRANCH   8   9
ATOM      9  O   LIG    1        3.424  -0.518   2.081  0.00  0.00    -0.395 OA
ATOM     10  H   LIG    1        3.853  -1.319   1.734  0.00  0.00    +0.209 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  11
ATOM     11  C   LIG    1       -1.211   0.873  -0.973  0.00  0.00    +0.141 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.353   0.113  -0.372  0.00  0.00    +0.073 A 
ATOM     13  N   LIG    1       -2.819  -1.048  -0.957  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -3.800  -1.459  -0.188  0.00  0.00    +0.196 A 
ATOM     15  N   LIG    1       -3.993  -0.619   0.871  0.00  0.00    -0.351 N 
ATOM     16  H   LIG    1       -4.685  -0.732   1.599  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1       -3.079   0.391   0.768  0.00  0.00    +0.108 A 
ENDBRANCH  11  12
ENDBRANCH   4  11
TORSDOF 5