REMARK  Name = BDB016285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.122  -1.603  -1.504  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.014  -1.579   0.019  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -0.985  -0.731   0.505  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.028   0.618   0.295  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.170   1.402   0.059  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.006   2.780  -0.181  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.752   3.383  -0.161  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.371   2.613   0.102  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -3.510   0.977   0.033  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.206   1.669  -0.219  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.096  -0.214   0.301  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.321  -0.303   0.186  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        0.256   1.233   0.336  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.293  -1.373   0.792  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.487   0.462   0.602  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        2.431   0.255  -0.423  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.604  -0.472  -0.150  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.810  -0.973   1.129  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1        5.016  -1.621   1.071  0.00  0.00    -0.277 N 
ATOM     20  H   LIG    1        5.490  -2.111   1.821  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        5.608  -1.577  -0.136  0.00  0.00    -0.181 NA
ATOM     22  C   LIG    1        2.901  -0.791   2.172  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.744  -0.879  -0.878  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        1.739  -0.064   1.881  0.00  0.00    +0.011 A 
ENDBRANCH  13  15
TORSDOF 1