REMARK  Name = BDB004919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.016  -0.185   3.339  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.741   0.946   2.634  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.056   1.650   1.468  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.169   1.214   0.929  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.777   1.889  -0.134  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.152   3.026  -0.662  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.061   3.475  -0.143  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.658   2.793   0.914  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.005   1.505  -0.717  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.309   2.083  -1.489  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.769   0.395  -0.411  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        3.498  -0.499   0.380  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.048   0.281  -1.169  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        5.510  -0.994  -1.507  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        6.710  -1.131  -2.206  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        7.465  -0.029  -2.565  0.00  0.00    -0.147 N 
ATOM     17  O   LIG    1        8.549  -0.162  -3.204  0.00  0.00    -0.164 OA
ATOM     18  C   LIG    1        7.006   1.229  -2.206  0.00  0.00    +0.134 A 
ATOM     19  C   LIG    1        5.810   1.403  -1.507  0.00  0.00    +0.034 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -2.128   0.562   2.317  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -2.625   0.285   3.158  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.385  -0.392   1.313  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.720  -0.667   0.950  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.918  -1.642  -0.049  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.248  -1.939  -0.416  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.339  -1.277   0.180  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.133  -0.308   1.149  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -2.860  -2.254  -0.625  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -1.636  -1.897  -0.221  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -4.833  -0.005   1.529  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -1.353  -1.003   0.721  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -5.605  -2.958  -1.453  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -6.768  -3.151  -1.792  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -4.602  -3.684  -2.025  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -4.828  -4.337  -2.760  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -3.630  -3.489  -1.802  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6