REMARK  Name = BDB014228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.490  -0.226  -0.092  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.245  -0.778  -0.408  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        1.141  -2.048  -0.959  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.233  -2.315  -1.162  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.950  -1.211  -0.736  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1        2.215  -2.829  -1.224  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        3.409  -2.282  -0.913  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.035  -0.287  -0.281  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.248   0.630   0.096  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        3.604  -1.024  -0.362  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.429  -0.964  -0.726  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.965  -0.573   0.661  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -3.365   0.892   0.541  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1       -3.850   1.004  -0.893  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -2.838   0.176  -1.674  0.00  0.00    +0.009 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     16  C   LIG    1        2.569   1.131   0.494  0.00  0.00    +0.341 C 
ATOM     17  O   LIG    1        1.584   1.818   0.724  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        4.017   2.778   1.293  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        3.859   1.476   0.726  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 3