REMARK  Name = BDB016270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868  -1.541  -0.845  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.967  -0.673  -0.616  0.00  0.00    +0.150 A 
ATOM      3  O   LIG    1       -1.621   0.646  -0.573  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -2.452   1.608   0.059  0.00  0.00    +0.179 C 
ATOM      5  C   LIG    1       -3.743   1.798  -0.699  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -4.777   0.780  -0.346  0.00  0.00    +0.221 C 
ATOM      7  N   LIG    1       -4.463  -0.537  -0.300  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1       -5.292  -1.097  -0.132  0.00  0.00    +0.155 HD
ATOM      9  O   LIG    1       -5.947   1.113  -0.147  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.562   1.415   1.571  0.00  0.00    +0.052 C 
ATOM     11  C   LIG    1       -3.250  -1.226  -0.474  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.393  -2.628  -0.511  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -2.306  -3.474  -0.722  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -1.044  -2.930  -0.899  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        1.087  -0.653   1.460  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1        1.324  -0.614  -0.006  0.00  0.00    +0.050 A 
ATOM     17  N   LIG    1        2.496  -0.181  -0.632  0.00  0.00    -0.236 N 
ATOM     18  N   LIG    1        2.474  -0.491  -1.963  0.00  0.00    -0.174 NA
ATOM     19  C   LIG    1        1.246  -0.941  -2.194  0.00  0.00    +0.143 A 
ATOM     20  C   LIG    1        0.479  -1.027  -1.026  0.00  0.00    +0.026 A 
BRANCH  17  21
ATOM     21  C   LIG    1        3.647   0.488  -0.108  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        4.816   0.536  -0.889  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.965   1.179  -0.421  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.959   1.793   0.827  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.802   1.773   1.601  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.649   1.129   1.136  0.00  0.00    +0.028 A 
ENDBRANCH  17  21
ENDBRANCH   1  20
TORSDOF 2