REMARK  Name = BDB027858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.988   0.780   0.122  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        3.504   2.017   0.192  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        2.644   3.037   0.104  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.268   2.859  -0.031  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.433   3.998  -0.138  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        0.999   5.259  -0.090  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.319   5.463   0.057  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.822   1.522  -0.059  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.092   4.349   0.144  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        1.683   0.492  -0.007  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.600  -2.496  -0.389  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1        3.797  -1.724   0.025  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        3.932  -0.322   0.227  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        5.262  -0.165   0.572  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1        5.816  -1.406   0.565  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        6.775  -1.668   0.772  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        4.952  -2.375   0.236  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1       -0.562   1.292  -0.145  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -1.002   1.791   0.626  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.184  -0.048  -0.306  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -0.938  -0.899   0.949  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -0.667  -0.738  -1.578  0.00  0.00    +0.031 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.714   0.257  -0.471  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.653  -0.893  -0.878  0.00  0.00    +0.086 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.780  -1.980   0.101  0.00  0.00    -0.308 NA
ATOM     26  C   LIG    1       -4.431  -3.142  -0.512  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -4.536  -1.566   1.286  0.00  0.00    +0.104 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 6