REMARK  Name = BDB048890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.565  -0.067  -0.128  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        2.290  -1.155  -0.040  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        3.556  -0.696  -0.238  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        3.485   0.755  -0.446  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1        4.717   1.527  -0.686  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        5.854   0.812  -0.696  0.00  0.00    +0.084 A 
ATOM      7  N   LIG    1        5.899  -0.551  -0.498  0.00  0.00    -0.365 N 
ATOM      8  H   LIG    1        6.794  -1.030  -0.515  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        4.753  -1.284  -0.272  0.00  0.00    +0.112 A 
ATOM     10  N   LIG    1        2.247   1.129  -0.376  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.752  -0.031   0.296  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.017   1.146   0.060  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.620   1.146  -0.082  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.093  -0.046   0.019  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -0.599  -1.228   0.269  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -1.996  -1.213   0.409  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.895   1.160   0.029  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1       -4.143  -0.020   0.453  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -4.873  -1.286   0.398  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 2