REMARK  Name = BDB000107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.224  -0.015   0.753  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1        0.301  -0.181  -0.242  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        1.361   0.043   1.544  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.371   0.345   2.734  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.150  -0.018  -2.503  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -5.434   0.296  -1.057  0.00  0.00    +0.213 C 
ATOM      7  N   LIG    1       -4.351   0.335  -0.215  0.00  0.00    -0.291 N 
ATOM      8  C   LIG    1       -2.938   0.096  -0.604  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1       -2.257   0.266   0.681  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -3.158   0.570   1.702  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1       -2.591   0.735   2.891  0.00  0.00    -0.175 NA
ATOM     12  N   LIG    1       -1.277   0.529   2.607  0.00  0.00    -0.263 N 
ATOM     13  H   LIG    1       -0.581   0.601   3.346  0.00  0.00    +0.190 HD
ATOM     14  C   LIG    1       -1.028   0.237   1.275  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -4.550   0.640   1.229  0.00  0.00    +0.165 C 
ATOM     16  O   LIG    1       -6.581   0.505  -0.667  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        2.643  -0.262   0.855  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        3.797   0.413   1.280  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        4.981   0.125   0.636  0.00  0.00    +0.167 A 
ATOM     20  O   LIG    1        6.189   0.686   0.907  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        7.029   0.005  -0.048  0.00  0.00    +0.466 C 
ATOM     22  O   LIG    1        6.308  -0.932  -0.876  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.049  -0.797  -0.382  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        3.937  -1.490  -0.812  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        2.717  -1.221  -0.181  0.00  0.00    +0.017 A 
ENDBRANCH   3  17
TORSDOF 2