REMARK  Name = BDB016492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.471  -0.214  -0.839  0.00  0.00    -0.319 N 
ATOM      2  H   LIG    1        0.856   0.577  -1.348  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -0.374  -0.071  -3.594  0.00  0.00    +0.049 C 
ATOM      4  C   LIG    1       -1.324  -0.237  -2.450  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -0.917  -0.301  -1.119  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -1.807  -0.490  -0.133  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -3.111  -0.566  -0.455  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -3.595  -0.500  -1.704  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.683  -0.338  -2.675  0.00  0.00    +0.120 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.063  -0.794   0.647  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.241  -0.027   0.850  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -6.111  -0.381   1.905  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.819  -1.436   2.769  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.651  -2.165   2.598  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.788  -1.847   1.550  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -5.596   1.169  -0.032  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1       -6.733   0.816  -0.994  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -5.946   2.423   0.780  0.00  0.00    +0.012 C 
ENDBRANCH  11  16
ENDBRANCH   7  10
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.119  -0.408   0.480  0.00  0.00    +0.059 C 
ATOM     20  C   LIG    1        0.472   0.011   1.785  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1        0.625  -1.447   1.467  0.00  0.00    +0.033 C 
BRANCH  19  22
ATOM     22  C   LIG    1        2.636  -0.236   0.362  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1        3.262   0.994   0.621  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.647   1.151   0.492  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        5.464   0.084   0.092  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        4.843  -1.144  -0.180  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        3.458  -1.297  -0.051  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.919   0.247  -0.041  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.819  -0.634   0.562  0.00  0.00    +0.119 A 
ATOM     30  N   LIG    1        9.169  -0.544   0.476  0.00  0.00    -0.263 NA
ATOM     31  C   LIG    1        9.661   0.482  -0.247  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        8.867   1.418  -0.886  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        7.483   1.296  -0.779  0.00  0.00    +0.011 A 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 6