REMARK  Name = BDB023598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.421   0.393   0.102  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1        1.213  -0.091   0.621  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.037   0.661   0.503  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -1.252   0.195   1.127  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -2.473   0.741   0.368  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -3.777   0.403   1.095  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -4.105  -0.987   0.659  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.406  -1.260  -0.623  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -2.326   2.241   0.157  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -1.081   2.681  -0.214  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -1.021   3.654  -0.488  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -3.268   3.028   0.210  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.693   0.039  -0.980  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        0.082   1.912  -0.122  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        1.283   2.415  -0.617  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        2.449   1.653  -0.508  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        2.945  -2.417  -1.115  0.00  0.00    +0.173 C 
ATOM     18  N   LIG    1        3.855  -1.639  -0.307  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1        3.649  -0.384   0.224  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.843  -0.061   0.843  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.672  -1.180   0.663  0.00  0.00    +0.135 A 
ATOM     22  N   LIG    1        5.073  -2.147  -0.031  0.00  0.00    -0.179 NA
ENDBRANCH   1  19
BRANCH   7  23
ATOM     23  C   LIG    1       -5.160  -1.682   1.102  0.00  0.00    +0.169 C 
ATOM     24  N   LIG    1       -6.070  -2.287   1.482  0.00  0.00    -0.174 NA
ENDBRANCH   7  23
TORSDOF 2