REMARK  Name = BDB041956
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.446   2.043  -3.183  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -2.336   1.337  -2.189  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -1.918   1.825  -0.980  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.535   2.764  -1.013  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1       -1.857   0.991   0.248  0.00  0.00    +0.099 C 
ATOM      6  C   LIG    1       -1.412   1.733   1.534  0.00  0.00    +0.189 C 
ATOM      7  O   LIG    1       -2.596   1.285   2.245  0.00  0.00    -0.375 OA
ATOM      8  C   LIG    1       -3.227   0.952   0.985  0.00  0.00    +0.189 C 
ATOM      9  C   LIG    1       -1.283  -0.413  -0.030  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -1.570  -0.896  -1.466  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -2.689  -0.130  -2.161  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        0.156  -0.440   0.255  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1        1.111   0.421  -0.272  0.00  0.00    +0.248 C 
ATOM     14  O   LIG    1        0.944   1.435  -0.921  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.423  -0.110   0.112  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        2.222  -1.297   0.813  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        3.304  -2.013   1.295  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.588  -1.508   1.057  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.774  -0.308   0.346  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.679   0.408  -0.138  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.765  -1.594   0.903  0.00  0.00    +0.144 C 
ENDBRANCH   9  12
TORSDOF 1