REMARK  Name = BDB036213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.243  -0.001  -1.717  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.004   0.538  -2.302  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.091   0.969  -1.289  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.413  -0.108  -0.325  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.472  -1.246  -0.324  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.026  -0.717  -0.445  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.769  -0.332  -0.076  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.611   0.653   0.494  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -4.076   1.987   0.937  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.944   0.479   0.718  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -6.474  -0.730   0.396  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -5.737  -1.771  -0.135  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.379  -1.562  -0.367  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.940  -0.904   0.658  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.560   0.220   1.164  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.945   0.996   1.394  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.927   0.213   1.607  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.510  -1.967   0.441  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.258   1.052  -1.537  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1        7.040  -0.990   0.688  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        6.528   0.016   1.711  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        7.167   0.267   2.722  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        5.325   0.604   1.419  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        4.986   1.257   2.108  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.594   0.296   0.260  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        5.144  -0.664  -0.616  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1        4.441  -1.021  -1.761  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        3.201  -0.451  -2.032  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        2.631   0.503  -1.165  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        3.351   0.914  -0.014  0.00  0.00    -0.021 A 
ATOM     31  C   LIG    1        2.767   1.964   0.897  0.00  0.00    +0.046 C 
ATOM     32  N   LIG    1        6.383  -1.292  -0.393  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1        9.505  -0.710   0.512  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        8.381  -1.626   0.957  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5