REMARK  Name = BDB016223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.082  -0.819  -1.361  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -2.156  -0.091  -0.783  0.00  0.00    +0.149 A 
ATOM      3  O   LIG    1       -1.830   0.511   0.398  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.829   0.867   1.341  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.684   2.000   0.826  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.786   1.539  -0.069  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.550   0.645  -1.059  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -5.384   0.500  -1.617  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.922   2.009   0.040  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.560  -0.334   1.939  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.395  -0.059  -1.442  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.550  -0.801  -2.631  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.501  -1.536  -3.179  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.267  -1.540  -2.547  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        1.047   0.188  -0.633  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1        0.258  -0.891  -0.750  0.00  0.00    +0.012 C 
BRANCH  15  20
ATOM     17  C   LIG    1        4.966   0.237   1.110  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        4.555  -0.868   0.365  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.275  -0.898  -0.204  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.385   0.169  -0.028  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1        2.810   1.280   0.708  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.088   1.309   1.276  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        7.108  -0.677   1.584  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        6.182   0.394   1.716  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  15  20
ENDBRANCH   1  16
TORSDOF 3