REMARK  Name = BDB016026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.022   2.075  -0.094  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.094   1.143   0.193  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.206   1.470   0.046  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.605   2.742  -0.363  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.572   3.622  -0.628  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.736   3.320  -0.513  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.163   0.014   0.587  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.818   0.394   0.443  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.442   1.698   0.055  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.477   2.620  -0.185  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.819   2.261  -0.044  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.159   0.964   0.340  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.539  -4.310   1.179  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.564  -3.249   1.238  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.410  -3.448   1.898  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.762  -2.290   1.746  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.497  -1.342   0.993  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.665  -2.008   0.678  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.989   3.154  -0.492  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.493   3.925  -1.521  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.827   4.072  -1.268  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.789   4.798  -2.062  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.231   3.445  -0.150  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.110   2.899   0.329  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.170   0.476   0.351  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.864   0.456  -0.394  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.797  -0.837   0.792  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -1.351  -1.774  -0.355  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1       -2.158  -2.898   0.350  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -3.018  -1.766   0.978  0.00  0.00    +0.027 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -2.858  -3.882  -0.572  0.00  0.00    +0.081 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -3.720  -4.772   0.197  0.00  0.00    -0.330 NA
ATOM     33  H   LIG    1       -4.475  -4.237   0.624  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -4.166  -5.438  -0.432  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7