REMARK  Name = BDB032016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.309   0.901  -0.432  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1        0.910   0.793  -0.489  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.477   1.587  -1.524  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1       -0.859   1.619  -1.751  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1       -1.702   0.896  -0.983  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.190   0.137   0.016  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        1.575   2.188  -2.137  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.524   3.040  -3.289  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1        0.126   0.052   0.295  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1        2.740   1.740  -1.483  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        3.892   2.020  -1.773  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1        8.323  -0.369   1.215  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        7.179  -1.340   1.075  0.00  0.00    +0.212 C 
ATOM     14  N   LIG    1        5.930  -0.814   0.775  0.00  0.00    -0.302 N 
ATOM     15  C   LIG    1        4.836  -1.749   0.529  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        3.708  -1.117  -0.272  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        3.140   0.107   0.457  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        4.234   0.945   1.148  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.638   0.615   0.650  0.00  0.00    +0.110 C 
ATOM     20  O   LIG    1        7.367  -2.547   1.233  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   6  21
ATOM     21  N   LIG    1       -2.004  -0.644   0.832  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1       -1.417  -1.120   1.500  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.391  -0.799   0.975  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -3.900  -1.793   1.837  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1       -2.997  -2.691   2.642  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -5.291  -1.962   1.962  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -6.192  -1.186   1.250  0.00  0.00    +0.090 A 
ATOM     28  C   LIG    1       -5.696  -0.199   0.374  0.00  0.00    +0.091 A 
ATOM     29  N   LIG    1       -6.532   0.582  -0.343  0.00  0.00    -0.249 NA
ATOM     30  C   LIG    1       -7.860   0.374  -0.184  0.00  0.00    +0.057 A 
ATOM     31  C   LIG    1       -8.333  -0.600   0.680  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -8.805   1.227  -0.969  0.00  0.00    +0.067 C 
ATOM     33  N   LIG    1       -7.514  -1.391   1.408  0.00  0.00    -0.252 NA
ATOM     34  C   LIG    1       -4.319  -0.033   0.254  0.00  0.00    +0.053 A 
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 3