REMARK  Name = BDB037088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.631  -0.324   0.127  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.628  -0.249   1.060  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1        1.727  -0.331   2.269  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.386  -0.048   0.318  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.708   0.035  -1.025  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1       -0.245   0.238  -2.016  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.584   0.352  -1.624  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -1.906   0.271  -0.264  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.248   0.302   0.409  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1       -4.184   1.439  -0.039  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -5.221   0.955  -1.049  0.00  0.00    +0.082 C 
ATOM     12  N   LIG    1       -6.061  -0.127  -0.542  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1       -6.946   0.239  -0.189  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -5.434  -0.963   0.480  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1       -3.925  -1.081   0.288  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1       -2.740   0.560   1.849  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.407   0.013   1.977  0.00  0.00    -0.490 OA
ATOM     18  C   LIG    1       -0.920   0.078   0.704  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        2.156  -0.117  -1.139  0.00  0.00    +0.255 C 
ATOM     20  O   LIG    1        2.768  -0.042  -2.187  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  27
ATOM     21  O   LIG    1        8.089   0.246  -0.014  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        6.887   0.044   0.129  0.00  0.00    +0.219 C 
ATOM     23  N   LIG    1        6.013   1.085   0.326  0.00  0.00    -0.255 N 
ATOM     24  H   LIG    1        6.413   2.012   0.279  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        4.639   1.029   0.405  0.00  0.00    +0.240 C 
ATOM     26  O   LIG    1        3.976   2.063   0.456  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        4.038  -0.378   0.491  0.00  0.00    +0.171 C 
ATOM     28  C   LIG    1        4.864  -1.354  -0.343  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.300  -1.348   0.159  0.00  0.00    +0.098 C 
ENDBRANCH   1  27
TORSDOF 1