REMARK  Name = BDB016527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.666   2.594  -0.400  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        1.229   1.290  -0.120  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1        2.586   1.081  -0.431  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1        3.228  -0.072  -0.241  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1        2.534  -1.095   0.265  0.00  0.00    +0.165 A 
ATOM      6  N   LIG    1        1.243  -1.028   0.605  0.00  0.00    -0.212 NA
ATOM      7  C   LIG    1        3.345   2.107  -0.974  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.811   3.362  -1.239  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.599   0.143   0.441  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        1.478   3.603  -0.955  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.413   3.650   0.369  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.405   4.090   1.225  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.075   3.747   0.971  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -0.737   2.957  -0.140  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -1.763   2.535  -1.000  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -3.092   2.874  -0.743  0.00  0.00    +0.001 A 
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  C   LIG    1        3.224  -2.365   0.454  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        2.610  -3.499   0.960  0.00  0.00    +0.125 A 
ATOM     19  N   LIG    1        3.220  -4.694   1.145  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        4.514  -4.742   0.802  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1        5.230  -3.726   0.302  0.00  0.00    -0.243 NA
ATOM     22  C   LIG    1        4.560  -2.561   0.142  0.00  0.00    +0.125 A 
ENDBRANCH   5  17
BRANCH   9  23
ATOM     23  N   LIG    1       -0.755   0.159   0.774  0.00  0.00    -0.323 N 
ATOM     24  H   LIG    1       -1.019   1.000   1.277  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.388  -1.023   1.353  0.00  0.00    +0.158 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.331  -1.680   0.364  0.00  0.00    +0.058 A 
ATOM     27  N   LIG    1       -3.657  -1.689   0.670  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1       -4.494  -2.279  -0.211  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -4.081  -2.872  -1.391  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.725  -2.861  -1.690  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -1.836  -2.259  -0.804  0.00  0.00    +0.025 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 5