REMARK  Name = BDB039468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -1.528   0.068  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.006  -0.531   0.299  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.339  -0.807   0.034  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.544   0.051   0.223  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.617  -0.763  -0.348  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.174  -2.054  -0.620  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.830  -3.027  -0.932  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.718  -2.055  -0.445  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.812  -3.068  -0.675  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.466  -2.793  -0.414  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -3.911  -4.400   1.902  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1       -4.265  -3.042   1.566  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1       -3.385  -2.118   1.060  0.00  0.00    +0.141 A 
ATOM     14  C   LIG    1       -4.082  -0.929   0.863  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.375   0.174   0.342  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1       -2.003  -0.044   0.090  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -1.406  -1.285   0.331  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1       -5.424  -1.172   1.277  0.00  0.00    +0.029 A 
ATOM     19  N   LIG    1       -2.084  -2.353   0.814  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1       -5.507  -2.481   1.704  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.006   1.531   0.097  0.00  0.00    +0.085 C 
ATOM     22  N   LIG    1       -3.552   2.107  -1.179  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -4.060   1.651  -1.936  0.00  0.00    +0.123 HD
ATOM     24  C   LIG    1       -3.693   3.560  -1.271  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -4.763   4.134  -0.351  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -4.477   3.803   1.113  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -3.739   2.474   1.279  0.00  0.00    +0.023 C 
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  28
ATOM     28  C   LIG    1        6.037  -0.435  -0.174  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1        6.253   1.048   0.169  0.00  0.00    +0.240 C 
ATOM     30  O   LIG    1        5.993   1.520   1.276  0.00  0.00    -0.273 OA
ATOM     31  N   LIG    1        6.603   1.880  -0.868  0.00  0.00    -0.255 N 
ATOM     32  H   LIG    1        6.650   2.865  -0.645  0.00  0.00    +0.158 HD
ATOM     33  C   LIG    1        6.645   1.575  -2.204  0.00  0.00    +0.219 C 
ATOM     34  O   LIG    1        6.723   2.462  -3.049  0.00  0.00    -0.275 OA
ATOM     35  C   LIG    1        6.523   0.117  -2.572  0.00  0.00    +0.098 C 
ATOM     36  C   LIG    1        6.898  -0.775  -1.397  0.00  0.00    +0.041 C 
ENDBRANCH   5  28
TORSDOF 3