REMARK  Name = BDB008464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.870  -0.520  -0.341  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1        0.987  -1.659  -0.665  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -0.412  -1.271  -0.351  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.890   0.019  -0.314  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.023   1.121  -0.593  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1       -0.371   2.368  -0.579  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1       -1.598   2.886  -0.281  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -1.606   3.902  -0.327  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -2.847   2.404   0.060  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1       -3.189   0.981   0.217  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.496   0.592   0.567  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.832  -0.755   0.726  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.879  -1.762   0.544  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.585  -1.363   0.195  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -3.745   3.233   0.246  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.239  -0.018   0.030  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -1.446  -2.111  -0.040  0.00  0.00    -0.356 N 
ATOM     18  H   LIG    1       -1.396  -3.119   0.025  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1        1.416   0.741  -1.002  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        3.270  -0.819  -0.670  0.00  0.00    +0.085 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.264   0.885   0.972  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1        4.196  -0.567   0.527  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 2