REMARK  Name = BDB056519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.768  -1.031   1.899  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1        2.372  -1.107   1.820  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.514  -0.118   1.157  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1        0.202  -0.715   0.624  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -0.536  -1.485   1.632  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -1.903  -1.717   1.610  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1       -2.471  -2.356   2.495  0.00  0.00    -0.276 OA
ATOM      8  C   LIG    1        0.256  -2.072   2.718  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        1.716  -2.317   2.320  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        4.413  -2.027   2.236  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1        6.841  -0.542   1.076  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        5.766   0.472   1.237  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.883   1.887   1.078  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.626   2.407   1.351  0.00  0.00    +0.136 A 
ATOM     15  C   LIG    1        4.311   3.764   1.313  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.350   4.636   0.975  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        6.631   4.156   0.693  0.00  0.00    +0.001 A 
ATOM     18  O   LIG    1        3.759   1.410   1.659  0.00  0.00    -0.450 OA
ATOM     19  C   LIG    1        6.915   2.784   0.743  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.439   0.224   1.578  0.00  0.00    +0.194 A 
ENDBRANCH   1  20
BRANCH   6  21
ATOM     21  C   LIG    1       -2.672  -1.154   0.428  0.00  0.00    +0.103 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.146  -1.548   0.470  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.798  -1.190  -0.840  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -4.892  -2.200  -1.759  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -4.580  -3.136  -1.542  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -5.437  -2.032  -3.007  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -5.512  -2.951  -3.813  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.919  -0.675  -3.312  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -5.776   0.296  -2.317  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -6.226   1.591  -2.580  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -6.808   1.905  -3.813  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.944   0.924  -4.796  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.499  -0.374  -4.548  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.194   0.019  -1.067  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4