REMARK  Name = BDB012164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.639   0.215   0.808  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.380  -0.028  -0.370  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.805  -0.650  -0.751  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.203  -0.887  -2.139  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.715  -1.001  -2.285  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        3.286  -2.129  -1.412  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        2.485  -2.345  -0.117  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        1.723  -1.093   0.299  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.730  -1.888  -1.134  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        5.058  -0.872  -0.276  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        6.428  -0.943  -0.270  0.00  0.00    +0.250 A 
ATOM     12  N   LIG    1        6.884  -1.905  -1.047  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        5.782  -2.517  -1.608  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.147   0.010   0.554  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        6.498   0.978   1.314  0.00  0.00    +0.124 A 
ATOM     16  N   LIG    1        7.128   1.890   2.097  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        8.476   1.835   2.127  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        9.222   0.914   1.412  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        8.544  -0.008   0.616  0.00  0.00    +0.016 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.343   0.351  -1.488  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.710   0.826  -0.990  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.563  -0.317  -0.436  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.940   0.177  -0.057  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -5.799   0.409  -1.099  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -5.519   0.240  -2.053  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -7.081   0.867  -0.929  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -7.832   1.059  -1.879  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.490   1.109   0.464  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -6.548   0.850   1.463  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -6.910   1.073   2.793  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -8.187   1.544   3.114  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -9.117   1.797   2.104  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.771   1.580   0.771  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.256   0.377   1.180  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6