REMARK  Name = BDB062128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -1.666  -0.666  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.235  -1.500  -0.118  0.00  0.00    +0.076 A 
ATOM      3  N   LIG    1        1.822  -2.738  -0.290  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        3.128  -3.153   0.161  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1        0.927  -3.553  -0.925  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.205  -2.936  -1.161  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        0.113   0.557  -2.618  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.016   0.409  -1.632  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1       -1.083  -0.660  -0.713  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.184  -0.763   0.169  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1       -2.328  -1.920   1.124  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.184   0.222   0.142  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.113   1.302  -0.745  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -2.023   1.391  -1.619  0.00  0.00    +0.009 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.176   2.370  -0.738  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.839   3.442   0.192  0.00  0.00    -0.326 NA
ATOM     17  H   LIG    1       -3.708   3.039   1.118  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -2.930   3.823  -0.068  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        1.866  -0.358   0.536  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.035   0.208   0.013  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        3.632   1.309   0.636  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        3.062   1.857   1.789  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        1.893   1.299   2.314  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        1.298   0.199   1.689  0.00  0.00    +0.011 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.673   2.986   2.428  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        4.172   3.897   2.945  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH   2  19
TORSDOF 5