REMARK  Name = BDB005581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.954   0.090   0.590  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.069  -0.928   0.964  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.299  -0.803   0.696  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.821   0.337   0.068  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.281   0.412  -0.174  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        2.815   1.560  -0.748  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        2.383   2.420  -0.420  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        4.227   1.671  -1.084  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        5.069   0.873  -0.096  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.561  -0.569   0.013  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.066  -0.626   0.177  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.497  -1.849   0.805  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        3.199  -2.811   1.105  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.074   1.344  -0.317  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.154  -1.852   1.049  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.789  -2.689   1.480  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.443   1.225  -0.054  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -3.436  -0.027   0.883  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.687   0.221   0.070  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -4.282   0.085  -0.318  0.00  0.00    -0.304 NA
ATOM     21  C   LIG    1       -4.120  -1.076  -1.198  0.00  0.00    +0.104 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 2