REMARK  Name = BDB016473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179  -3.763   2.287  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.497  -2.454   2.057  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.138  -1.347   1.509  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        0.487  -0.193   1.290  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -0.814  -0.139   1.627  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -1.511  -1.137   2.192  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.835  -2.280   2.382  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.515   1.131   1.416  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.966   1.565   0.142  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -2.657   2.791   0.053  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.881   3.583   1.181  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.432   3.163   2.425  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.761   1.948   2.541  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -1.773   0.701  -1.104  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -2.983  -0.218  -1.300  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -1.506   1.500  -2.386  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        2.502  -1.454   1.170  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        3.014  -1.731   2.001  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.100  -0.274   0.551  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.838  -0.230  -0.929  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1        2.174   0.847  -1.506  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1        1.936   0.973  -2.833  0.00  0.00    -0.263 NA
ATOM     23  C   LIG    1        2.362  -0.035  -3.623  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        3.021  -1.157  -3.151  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.264  -1.252  -1.784  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5