REMARK  Name = BDB056791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.696   0.395   0.920  0.00  0.00    +0.148 A 
ATOM      2  N   LIG    1        1.014  -0.419   0.039  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.519  -1.627  -0.570  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.232   0.124  -0.173  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.249   1.262   0.627  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.391   2.077   0.651  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.494   1.721  -0.134  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.461   0.562  -0.916  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.322  -0.251  -0.971  0.00  0.00    +0.074 A 
ATOM     10  N   LIG    1        0.936   1.407   1.300  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.092   0.139   1.394  0.00  0.00    +0.303 C 
BRANCH  11  12
ATOM     12  O   LIG    1        3.920   0.019   0.237  0.00  0.00    -0.484 OA
BRANCH  12  16
ATOM     13  C   LIG    1        8.017  -0.713   0.580  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        7.392  -0.545  -0.659  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        6.016  -0.300  -0.719  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.249  -0.220   0.447  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        5.870  -0.387   1.683  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        7.247  -0.634   1.748  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  C   LIG    1       10.332  -0.983  -0.534  0.00  0.00    +0.091 C 
ATOM     20  C   LIG    1        9.480  -0.979   0.708  0.00  0.00    +0.160 C 
ATOM     21  O   LIG    1        9.969  -1.194   1.815  0.00  0.00    -0.292 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  22
ATOM     22  O   LIG    1       -3.512   0.194  -1.730  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.774   0.206  -1.179  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -5.789   0.778  -1.940  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -7.109   0.806  -1.462  0.00  0.00    -0.026 A 
ATOM     26  C   LIG    1       -8.163   1.483  -2.298  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -7.423   0.191  -0.230  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -6.380  -0.350   0.555  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -6.638  -0.933   1.919  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1       -5.066  -0.367   0.056  0.00  0.00    +0.051 A 
BRANCH  27  31
ATOM     31  N   LIG    1       -8.721   0.302   0.303  0.00  0.00    -0.358 N 
ATOM     32  H   LIG    1       -9.448   0.384  -0.399  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1       -8.946  -0.410   0.989  0.00  0.00    +0.142 HD
ENDBRANCH  27  31
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 7