REMARK  Name = BDB028177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374   0.204  -1.645  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.061   0.540  -0.470  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.308  -0.034  -0.192  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.872  -0.927  -1.099  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.187  -1.516  -0.802  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.768  -1.131   0.381  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.676  -1.529   0.602  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.239  -0.272   1.294  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.725  -2.301  -1.575  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.198  -1.261  -2.279  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.075   0.258   1.045  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.951  -0.695  -2.550  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.405   1.580  -1.373  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -3.034   1.381  -1.787  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.028   0.751  -1.084  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1       -0.927   0.779  -1.931  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -1.378   1.446  -3.091  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.649   1.836  -2.994  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.202   0.172   0.251  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -2.235  -1.218   0.469  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1       -2.374  -1.715   1.774  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -2.478  -0.841   2.857  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.446   0.535   2.645  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.309   1.040   1.351  0.00  0.00    +0.011 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -2.138  -2.157  -0.613  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -2.063  -2.934  -1.472  0.00  0.00    -0.191 NA
ENDBRANCH  20  25
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1        2.463   1.219   2.070  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.335   1.366   3.242  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1        3.524   0.428   3.604  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        4.253   1.667   2.905  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5