REMARK  Name = BDB028162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881  -0.572   0.289  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.236   0.283   0.295  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -1.465  -0.147   0.813  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.581  -1.437   1.321  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.881  -1.891   1.841  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -3.910  -0.985   1.771  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.815  -1.282   2.122  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.829   0.286   1.292  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.025  -3.017   2.304  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.479  -2.299   1.330  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.681   0.705   0.844  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.745  -1.864   0.819  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.381  -0.324  -2.660  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        2.424   0.009  -1.629  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.169  -0.120  -0.253  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        3.216   0.203   0.624  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        4.441   0.638   0.130  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.591   0.738  -1.240  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.617   0.437  -2.122  0.00  0.00    -0.260 NA
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  C   LIG    1       -2.619   2.139   0.324  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.641   2.120  -1.140  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -3.509   1.671  -1.440  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -2.703   3.080  -1.480  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 3