REMARK  Name = BDB014205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358  -0.398   0.018  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1        0.753   0.089   0.670  0.00  0.00    -0.352 N 
ATOM      3  H   LIG    1        0.738   0.704   1.475  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        1.906  -0.355   0.069  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.518  -1.155  -0.999  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        2.399  -1.768  -1.825  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.699  -1.548  -1.540  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.174  -0.766  -0.499  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.258  -0.139   0.347  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        0.105  -1.181  -1.026  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.254   1.064  -1.770  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -2.624   0.610  -0.383  0.00  0.00    -0.041 A 
ATOM     13  C   LIG    1       -1.718  -0.079   0.447  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.124  -0.475   1.732  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.413  -0.201   2.190  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.312   0.469   1.368  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.922   0.869   0.090  0.00  0.00    +0.004 A 
ENDBRANCH   1  13
BRANCH   9  18
ATOM     18  C   LIG    1        3.746   0.696   1.459  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.915   0.906   1.725  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.755   1.234   2.195  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.239   1.751   2.876  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 3