REMARK  Name = BDB001017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.922  -2.822   1.040  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.239  -1.858   0.717  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -2.850  -0.594   0.198  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.018   0.488  -0.161  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -2.603   1.663  -0.644  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.993   1.756  -0.766  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.809   0.681  -0.409  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.576   0.328  -0.010  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        0.501   1.329  -0.323  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        1.731   0.542   0.053  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        1.363  -0.737   0.516  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.319  -1.653   0.924  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.666  -1.277   0.866  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.029   0.007   0.401  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.059   0.934  -0.012  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -0.085  -0.827   0.460  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1       -4.240  -0.497   0.074  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1       -0.861  -1.882   0.812  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -0.452  -2.737   1.163  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        5.450   0.380   0.349  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        5.733   1.514  -0.064  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        6.281  -0.461   0.720  0.00  0.00    -0.126 OA
ENDBRANCH  14  20
TORSDOF 1