REMARK  Name = BDB011159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.177   0.253  -0.038  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1        1.416  -0.891   0.181  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1        1.948  -1.996   0.316  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        0.019  -0.739   0.187  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.584   0.556   0.012  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        0.206   1.532  -0.574  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -0.372   2.712  -0.991  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.676   2.992  -0.818  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -2.449   2.132  -0.124  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.788   2.477   0.153  0.00  0.00    +0.146 A 
ATOM     11  C   LIG    1       -4.597   1.660   0.949  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.072   0.505   1.504  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.757   0.143   1.225  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.929   0.901   0.360  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.644   1.333  -0.721  0.00  0.00    +0.266 A 
ATOM     16  O   LIG    1        2.281   2.124  -1.410  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -0.797  -1.959  -0.005  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -0.422  -2.772  -1.270  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -0.132  -4.190  -0.790  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -0.924  -4.319   0.499  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -0.745  -2.962   1.162  0.00  0.00    +0.025 C 
ENDBRANCH   4  17
BRANCH   1  22
ATOM     22  C   LIG    1        3.647   0.094   0.011  0.00  0.00    +0.092 C 
ATOM     23  C   LIG    1        4.221  -0.305  -1.355  0.00  0.00    +0.031 C 
BRANCH  22  25
ATOM     24  C   LIG    1        5.793   1.063   1.016  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        4.349   1.331   0.613  0.00  0.00    +0.022 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH  10  26
ATOM     26  O   LIG    1       -4.221   3.666  -0.397  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -5.562   4.067  -0.156  0.00  0.00    +0.277 C 
ENDBRANCH  10  26
TORSDOF 4