REMARK  Name = BDB028436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.879  -3.645  -0.522  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.601  -3.225   0.009  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.157  -1.934   0.204  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.129  -2.073   0.709  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.352  -3.463   0.770  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.702  -4.166   0.356  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.010  -0.980   1.060  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.182  -0.762   0.319  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        3.030   0.304   0.642  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.719   1.120   1.729  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.646   2.197   2.111  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.798   2.291   1.373  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.449   3.031   1.617  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        5.113   1.542   0.283  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.399   2.949   3.048  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.551   0.907   2.472  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.277   0.619  -0.104  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.695  -0.140   2.134  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.635  -0.203  -1.350  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.457   0.602  -2.260  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        6.120   1.136  -1.691  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        6.007  -0.011  -2.857  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -1.938  -0.734  -0.110  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.615   0.109  -1.185  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -2.389   1.251  -1.423  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -3.483   1.558  -0.596  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.814   0.715   0.486  0.00  0.00    +0.072 A 
ATOM     28  N   LIG    1       -4.850   0.965   1.301  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1       -5.591   2.071   1.067  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -5.346   2.957   0.035  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.274   2.694  -0.809  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.034  -0.411   0.708  0.00  0.00    +0.039 A 
BRANCH  24  33
ATOM     33  C   LIG    1       -0.511  -0.169  -2.061  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        0.381  -0.382  -2.771  0.00  0.00    -0.191 NA
ENDBRANCH  24  33
ENDBRANCH   3  23
TORSDOF 5