REMARK  Name = BDB005586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.204  -0.199  -0.560  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.487  -1.116   0.219  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.905  -1.025   0.314  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.621  -0.036  -0.376  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -3.099  -0.009  -0.249  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -3.836   0.903  -1.003  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.393   1.138  -1.887  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.286   0.781  -1.108  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -5.862   0.401   0.250  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.200  -0.873   0.784  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.707  -0.876   0.585  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.934  -1.904   1.334  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.482  -2.706   2.086  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.893   0.893  -1.134  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -1.585  -1.930   1.134  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.075  -2.632   1.653  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        0.502   0.812  -1.227  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        2.710  -0.292  -0.657  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.327  -0.018   0.638  0.00  0.00    -0.312 NA
ATOM     20  H   LIG    1        3.045   0.908   0.955  0.00  0.00    +0.122 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.785  -0.119   0.609  0.00  0.00    +0.081 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.976   0.981   0.030  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.461   1.092  -0.040  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4