REMARK  Name = BDB028466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.688   0.072   2.627  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -2.221   0.364   1.558  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.456  -0.141   1.131  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1       -4.315   0.578   0.244  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -5.055  -0.066  -0.764  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -5.864   0.723  -1.612  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -5.957   2.105  -1.457  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -5.237   2.733  -0.452  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.008  -1.545  -1.087  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -4.531  -2.522  -0.014  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -5.026  -2.128   1.368  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -4.423   1.976   0.388  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -4.084  -1.122   2.021  0.00  0.00    +0.115 C 
ATOM     14  N   LIG    1       -1.582   1.163   0.641  0.00  0.00    -0.296 N 
ATOM     15  H   LIG    1       -1.905   1.068  -0.313  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.252   1.716   0.860  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.864   0.647   0.817  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.951  -0.008   2.092  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.033  -0.147   2.415  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.233   1.304   0.504  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.240   0.403  -0.106  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        4.451   1.183  -0.440  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.609   0.348  -0.941  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.681  -1.025  -0.655  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.780  -1.773  -1.097  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.816  -1.156  -1.797  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.758   0.210  -2.066  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.544  -1.700   0.066  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.662   0.959  -1.637  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.611  -0.712   0.782  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  14  16
TORSDOF 5