REMARK  Name = BDB001527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -2.933   2.850  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -0.627  -2.113   1.909  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.156  -1.124   1.091  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.372  -0.397   0.273  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        0.945  -0.648   0.238  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.529  -1.589   0.987  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        0.735  -2.297   1.806  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -2.552  -0.882   1.133  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -3.049  -1.754   0.991  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -3.270   0.215   0.606  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.628   0.053   0.289  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.393   1.126  -0.178  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.810   2.379  -0.307  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1       -3.478   2.578   0.032  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.719   1.499   0.498  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  O   LIG    1       -5.589   3.399  -0.764  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1       -5.048   4.205  -0.803  0.00  0.00    +0.292 HD
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   5  18
ATOM     18  N   LIG    1        1.664   0.147  -0.649  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        1.019   0.760  -1.125  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.011   0.237  -1.009  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.026  -0.544  -0.443  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.361  -0.407  -0.844  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.691   0.521  -1.822  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        4.711   1.310  -2.402  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.381   1.168  -1.996  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.977   0.687  -2.241  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        7.542   0.069  -1.750  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 6