REMARK  Name = BDB063677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.143  -1.719  -2.267  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.012  -2.154  -0.866  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        1.465  -2.178  -0.403  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.093  -0.851  -0.592  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.959  -0.367  -1.990  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.477  -0.393  -2.440  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.369  -0.653  -0.043  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.196  -1.668   0.452  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.424  -1.491   1.001  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        5.877  -0.219   1.079  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        5.146   0.874   0.632  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.886   0.645   0.075  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.233  -0.030   1.690  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        7.367   1.071   2.527  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.523   1.501   2.882  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        8.583   1.263   3.276  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1        8.149  -0.814   1.468  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.503  -1.819  -2.805  0.00  0.00    +0.119 C 
BRANCH  18  28
ATOM     19  C   LIG    1       -6.192   1.108   0.607  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -5.978  -0.282   1.207  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1       -6.635  -0.665   2.163  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1       -5.014  -1.047   0.601  0.00  0.00    -0.319 N 
ATOM     23  H   LIG    1       -4.859  -1.970   0.982  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -4.281  -0.577  -0.493  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1       -4.536   0.713  -0.984  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1       -3.788   1.151  -2.080  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1       -2.817   0.342  -2.670  0.00  0.00    +0.045 A 
ATOM     28  C   LIG    1       -2.561  -0.943  -2.170  0.00  0.00    -0.029 A 
ATOM     29  F   LIG    1       -3.992   2.374  -2.592  0.00  0.00    -0.203 F 
ATOM     30  C   LIG    1       -3.310  -1.399  -1.074  0.00  0.00    +0.033 A 
ATOM     31  N   LIG    1       -5.510   1.555  -0.407  0.00  0.00    -0.242 NA
BRANCH  19  33
ATOM     32  C   LIG    1       -6.649   2.685   2.477  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -7.230   1.987   1.261  0.00  0.00    +0.057 C 
ENDBRANCH  19  33
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5