REMARK  Name = BDB049495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.037  -1.393   0.384  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1        1.246  -0.915   1.256  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.054  -0.920  -0.451  0.00  0.00    +0.215 C 
ATOM      4  O   LIG    1       -0.113  -1.363  -1.582  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  CA  LIG    1        1.974  -2.432  -0.032  0.00  0.00    +0.186 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.619  -3.049   1.212  0.00  0.00    +0.326 C 
ATOM      7  O   LIG    1        2.682  -2.493   2.301  0.00  0.00    -0.249 OA
BRANCH   6   8
ATOM      8  OXT LIG    1        3.137  -4.284   1.009  0.00  0.00    -0.479 OA
ATOM      9  HXT LIG    1        2.986  -4.649   0.116  0.00  0.00    +0.295 HD
ENDBRANCH   6   8
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1        3.038  -1.938  -1.027  0.00  0.00    +0.069 C 
BRANCH  10  14
ATOM     11  C   LIG    1        5.079   1.679   0.219  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        5.511   0.430   0.669  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.854  -0.741   0.278  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.771  -0.684  -0.607  0.00  0.00    -0.045 A 
ATOM     15  C   LIG    1        3.378   0.563  -1.107  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        4.041   1.729  -0.712  0.00  0.00    +0.023 A 
BRANCH  11  17
ATOM     17  N   LIG    1        5.814   2.831   0.521  0.00  0.00    -0.358 N 
ATOM     18  H   LIG    1        6.314   2.776   1.403  0.00  0.00    +0.142 HD
ATOM     19  H   LIG    1        5.283   3.691   0.432  0.00  0.00    +0.142 HD
ENDBRANCH  11  17
ENDBRANCH  10  14
ENDBRANCH   5  10
ENDBRANCH   1   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.729   0.236   0.139  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.105   0.420  -0.531  0.00  0.00    +0.058 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.726   1.802  -0.310  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -2.423   2.612   0.796  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.028   3.862   0.954  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.948   4.320   0.014  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.269   3.526  -1.083  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.666   2.277  -1.243  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -3.057  -0.706  -0.125  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.365  -1.724  -1.042  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.219  -2.770  -0.689  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.776  -2.815   0.587  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.478  -1.816   1.510  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.623  -0.769   1.159  0.00  0.00    +0.004 A 
ENDBRANCH  21  28
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 10