REMARK  Name = BDB016293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.574   2.010   1.203  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.371   1.574  -0.246  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.276   0.632  -0.391  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.372   1.085  -0.268  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.281  -0.672   0.121  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.436  -1.413   0.466  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.299  -2.717   0.988  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.058  -3.327   1.126  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.078  -2.643   0.733  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.780  -0.998   0.371  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.475  -1.618   0.768  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.379   0.077  -0.191  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.606   0.176  -0.095  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.009  -1.333   0.223  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.601   1.084  -0.969  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.255  -0.684  -0.186  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        2.171  -0.236   0.784  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        3.342   0.366   0.360  0.00  0.00    -0.017 A 
ATOM     19  C   LIG    1        4.478   0.930   1.161  0.00  0.00    +0.133 C 
ATOM     20  C   LIG    1        5.426   1.431   0.065  0.00  0.00    +0.222 C 
ATOM     21  N   LIG    1        4.834   1.151  -1.161  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        5.266   1.385  -2.043  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        6.504   1.977   0.228  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        3.610   0.525  -0.997  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        2.743   0.101  -1.978  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        1.556  -0.509  -1.560  0.00  0.00    +0.010 A 
ENDBRANCH  14  16
TORSDOF 1