REMARK  Name = BDB016381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.031   1.684   1.371  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.411   1.706  -0.024  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.353   0.725  -0.171  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.504   1.002   0.318  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.545  -0.661  -0.165  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.768  -1.321  -0.431  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.828  -2.730  -0.382  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.703  -3.505  -0.131  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.484  -2.881   0.072  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.010  -0.729  -0.740  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.809  -1.349  -0.787  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.381   0.539  -1.036  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.579   0.759  -1.247  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.383  -1.478   0.051  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.377   1.632  -1.179  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.961  -0.897   0.274  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        1.693  -0.401  -0.838  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        2.952   0.129  -0.514  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        3.417   0.141   0.849  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.659   0.711   0.845  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        4.894   1.011  -0.466  0.00  0.00    -0.273 N 
ATOM     22  C   LIG    1        6.080   1.632  -1.007  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1        2.749  -0.328   1.971  0.00  0.00    +0.012 A 
ATOM     24  N   LIG    1        3.891   0.677  -1.304  0.00  0.00    -0.171 NA
ATOM     25  C   LIG    1        1.488  -0.854   1.618  0.00  0.00    +0.009 A 
ENDBRANCH  14  16
TORSDOF 1