REMARK  Name = BDB051461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.045   0.370   0.431  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.765   0.076  -0.075  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.670  -0.610  -1.283  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.321  -0.736  -1.500  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.898  -1.165  -2.307  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.642  -0.168  -0.446  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.777  -1.025  -2.027  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.040  -0.725  -1.506  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.506   0.319   0.425  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.178  -0.039  -0.298  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.819  -0.105  -0.326  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.683  -0.802  -1.179  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.074  -0.708  -1.022  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.639   0.082  -0.011  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.773   0.775   0.843  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.385   0.680   0.687  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.082   0.183   0.154  0.00  0.00    +0.155 A 
ATOM     18  O   LIG    1        5.869  -0.525  -0.721  0.00  0.00    -0.442 OA
ATOM     19  C   LIG    1        7.141  -0.242  -0.329  0.00  0.00    +0.308 A 
ATOM     20  N   LIG    1        7.244   0.568   0.698  0.00  0.00    -0.224 NA
ATOM     21  C   LIG    1        5.936   0.844   1.013  0.00  0.00    +0.160 A 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  25
ATOM     22  N   LIG    1       -5.157   0.639   2.556  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.156   1.060   3.476  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.509  -0.304   2.474  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.199   1.113   1.697  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.535   2.098   1.981  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3