REMARK  Name = BDB027522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.096  -1.893  -0.045  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.063  -1.649   0.861  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.268  -2.142   0.483  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.346  -1.998   1.585  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.693  -2.090   2.970  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -0.558  -1.081   3.179  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.100  -0.611   1.884  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.929  -2.462  -1.122  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.130  -0.742   0.874  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.521  -0.338  -0.315  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.201  -0.712  -0.606  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.473  -1.482   0.301  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.074  -1.919   1.481  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.390  -1.541   1.764  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.471   0.290   0.754  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1        6.440  -0.430   1.279  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        6.726  -0.815   2.174  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        8.509   0.347   1.423  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1        8.625   1.737  -0.955  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.354   0.989  -0.580  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -3.091  -0.739   1.504  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -2.558   0.120   1.559  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.940  -0.590   0.419  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.098   0.669  -0.011  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.902   0.881  -1.063  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1       -5.560  -0.162  -1.717  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -6.396   0.084  -2.820  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.573   1.389  -3.269  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.924   2.444  -2.628  0.00  0.00    +0.122 A 
ATOM     30  C   LIG    1       -5.321  -1.422  -1.197  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.096   2.176  -1.533  0.00  0.00    +0.074 A 
ATOM     32  N   LIG    1       -4.519  -1.656  -0.142  0.00  0.00    -0.222 NA
BRANCH  29  33
ATOM     33  O   LIG    1       -6.179   3.677  -3.162  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -5.550   4.792  -2.540  0.00  0.00    +0.277 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6