REMARK  Name = BDB025361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.025   0.158  -0.838  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -1.612   0.149  -0.405  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.347  -1.016   0.487  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.348  -1.732   1.120  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.694  -2.735   1.832  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.383  -2.679   1.675  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -3.789  -1.408   0.954  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.139  -1.598   0.866  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        1.227  -1.308   0.597  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        2.094  -2.112   0.939  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.956  -0.019   0.296  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.537  -0.017  -0.132  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.763   0.679   0.443  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.965   0.740  -0.282  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.043   1.454   0.257  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        4.962   2.036   1.523  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.786   1.934   2.258  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1        4.069   0.234  -1.589  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        5.029  -0.031  -1.802  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1        3.111  -0.805  -1.929  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        2.688   1.264   1.720  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.701  -0.317  -1.628  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  23
ATOM     23  N   LIG    1       -2.304  -3.666   2.575  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1       -3.249  -3.947   2.346  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -1.716  -4.450   2.841  0.00  0.00    +0.144 HD
ENDBRANCH   5  23
BRANCH   1  27
ATOM     26  C   LIG    1       -3.337   2.681  -1.013  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -3.356   1.310  -1.683  0.00  0.00    +0.081 C 
ENDBRANCH   1  27
TORSDOF 3