REMARK  Name = BDB008456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133   0.530   0.816  0.00  0.00    -0.341 N 
ATOM      2  C   LIG    1       -1.233   1.877   0.502  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.072   2.373   0.391  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.291   3.711   0.066  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.651   4.261  -0.073  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        2.817   3.541   0.095  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        3.628   4.138  -0.053  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.165   2.266   0.420  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1        2.374   1.270   0.662  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1        2.985  -0.090   1.048  0.00  0.00    +0.166 C 
ATOM     11  N   LIG    1        2.101  -1.200   0.644  0.00  0.00    -0.290 N 
ATOM     12  C   LIG    1        0.742  -1.177   1.192  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1        2.364  -2.056  -0.416  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        1.552  -2.862  -0.856  0.00  0.00    -0.275 OA
ATOM     15  O   LIG    1        1.761   5.457  -0.365  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -0.828   4.540  -0.138  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.124   4.042  -0.023  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        0.941   1.313   0.650  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -2.351   2.701   0.296  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        0.191   0.180   0.900  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  13  21
ATOM     21  C   LIG    1        3.713  -1.978  -1.042  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        4.919  -2.558  -0.337  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        4.377  -3.236  -1.558  0.00  0.00    +0.013 C 
ENDBRANCH  13  21
BRANCH   1  24
ATOM     24  C   LIG    1       -2.266  -0.365   1.020  0.00  0.00    +0.137 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.734  -1.000  -0.297  0.00  0.00    +0.105 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.100  -1.305   0.201  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -3.832  -1.970  -0.108  0.00  0.00    -0.307 NA
ATOM     28  C   LIG    1       -3.989  -2.786  -1.317  0.00  0.00    +0.104 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 4