REMARK  Name = BDB018667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -7.459  -1.191  -0.525  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -7.000   0.228  -0.455  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.471   0.143  -0.464  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.848   1.408  -1.038  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -5.463   2.210  -1.736  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.502   1.568  -0.830  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -3.066   2.332  -1.331  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.757   0.825   0.091  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.412  -0.047   0.965  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -2.664  -0.764   1.900  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.275  -0.617   1.947  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -0.606   0.261   1.077  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -1.372   0.988   0.151  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -4.916  -0.122   0.944  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.245  -1.036  -1.422  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.360  -2.018  -1.087  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        0.857   0.418   1.139  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.708  -0.697   1.035  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.097  -0.552   1.095  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.652   0.721   1.247  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.827   1.839   1.378  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.439   1.686   1.315  0.00  0.00    +0.009 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.116   0.893   1.347  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        5.920   0.462   0.298  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        5.466   0.222  -1.074  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1        6.230  -0.950  -1.728  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1        7.652  -1.093  -1.350  0.00  0.00    -0.313 NA
ATOM     28  H   LIG    1        7.707  -1.804  -0.619  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        8.167   0.162  -0.776  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        7.367   0.622   0.458  0.00  0.00    +0.123 C 
ATOM     31  O   LIG    1        5.561   1.405   2.372  0.00  0.00    -0.270 OA
ENDBRANCH  20  23
ENDBRANCH  12  17
BRANCH   1  33
ATOM     32  N   LIG    1       -9.853  -1.895  -0.473  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -8.744  -1.566  -0.497  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 3