REMARK  Name = BDB016486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356  -3.568  -1.292  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.596  -2.427  -1.135  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.198  -1.150  -0.756  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.086  -0.154  -0.596  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.385  -0.426  -0.825  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.858  -1.616  -1.227  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.948  -2.592  -1.365  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.339   0.687  -0.687  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.532   0.616   0.080  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.404   1.728   0.088  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.099   2.898  -0.606  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.918   2.986  -1.327  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.053   1.893  -1.367  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.901  -0.622   0.896  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.028  -1.404   0.219  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -5.273  -0.286   2.347  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.161  -0.908  -0.490  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.726  -1.219  -1.274  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.476   0.467  -0.123  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.972   0.586   0.074  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        3.590  -0.028   1.171  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.973   0.066   1.354  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        5.769   0.777   0.448  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.150   1.384  -0.654  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        3.766   1.288  -0.840  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.210   0.870   0.652  0.00  0.00    +0.086 A 
ATOM     27  N   LIG    1        7.993   1.924   0.257  0.00  0.00    -0.257 N 
ATOM     28  H   LIG    1        7.724   2.781  -0.210  0.00  0.00    +0.191 HD
ATOM     29  N   LIG    1        9.282   1.746   0.580  0.00  0.00    -0.068 NA
ATOM     30  N   LIG    1        9.376   0.582   1.204  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        8.125   0.036   1.264  0.00  0.00    +0.164 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6