REMARK  Name = BDB014506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.967  -3.622  -2.333  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        2.256  -2.857  -1.416  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.491  -1.768  -1.068  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.872  -1.125  -0.373  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.324  -1.344  -1.815  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.703  -0.669  -0.898  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.144   0.547  -0.372  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.924   1.067  -0.083  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.995  -0.327  -1.669  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.927   0.476  -0.841  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.929   1.124  -1.718  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.044   1.821  -0.968  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.336   1.489   0.366  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.412   2.107   1.022  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.209   3.032   0.348  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.934   3.352  -0.980  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.472   0.498   1.098  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.864   2.743  -1.639  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.628  -0.363   0.150  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.526  -3.025  -0.583  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.277  -2.682   0.783  0.00  0.00    -0.479 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.328  -1.990   1.328  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1        4.608  -0.665   0.976  0.00  0.00    +0.204 A 
ATOM     24  O   LIG    1        3.796  -0.059   0.047  0.00  0.00    -0.482 OA
ATOM     25  C   LIG    1        3.985   1.361   0.024  0.00  0.00    +0.270 C 
ATOM     26  C   LIG    1        5.467   1.699   0.026  0.00  0.00    +0.270 C 
ATOM     27  O   LIG    1        6.081   1.262   1.244  0.00  0.00    -0.485 OA
ATOM     28  C   LIG    1        5.697  -0.016   1.569  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1        6.452  -0.660   2.551  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.133  -1.964   2.935  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        5.069  -2.631   2.323  0.00  0.00    +0.049 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8