REMARK  Name = BDB058625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.158   0.702  -0.151  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        3.967  -0.240   0.854  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        4.979  -1.000   1.528  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        4.837  -1.861   2.483  0.00  0.00    -0.179 NA
ATOM      5  N   LIG    1        3.696  -2.260   3.086  0.00  0.00    -0.243 N 
ATOM      6  H   LIG    1        3.862  -2.945   3.820  0.00  0.00    +0.192 HD
ATOM      7  C   LIG    1        2.354  -2.007   2.950  0.00  0.00    +0.273 A 
ATOM      8  C   LIG    1        1.777  -1.070   1.974  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        0.369  -0.910   1.934  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -0.245  -0.032   1.044  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        0.545   0.715   0.162  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        1.934   0.547   0.212  0.00  0.00    +0.050 A 
ATOM     13  O   LIG    1        1.589  -2.612   3.707  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        2.568  -0.326   1.092  0.00  0.00    +0.021 A 
ATOM     15  N   LIG    1        2.917   1.149  -0.529  0.00  0.00    -0.353 N 
ATOM     16  H   LIG    1        2.751   1.839  -1.247  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        7.285   3.295  -3.163  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        6.768   2.404  -2.154  0.00  0.00    -0.274 N 
ATOM     19  N   LIG    1        7.621   1.687  -1.406  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        6.821   0.989  -0.594  0.00  0.00    +0.144 A 
ATOM     21  C   LIG    1        5.456   1.252  -0.823  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1        5.458   2.181  -1.842  0.00  0.00    +0.118 A 
ENDBRANCH   1  21
BRANCH  10  23
ATOM     23  N   LIG    1       -1.641   0.165   0.957  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1       -1.948   0.832   0.261  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -2.633  -0.437   1.714  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -2.467  -1.243   2.626  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -4.064   0.016   1.309  0.00  0.00    +0.141 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.734  -1.029   0.378  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.195  -0.660   0.014  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -6.307   0.004  -1.354  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.818  -0.916  -2.472  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -4.712  -1.872  -2.024  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -3.885  -1.276  -0.892  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  N   LIG    1       -4.848   0.208   2.550  0.00  0.00    -0.320 NA
ATOM     35  H   LIG    1       -4.333   0.837   3.168  0.00  0.00    +0.119 HD
ATOM     36  H   LIG    1       -4.832  -0.686   3.054  0.00  0.00    +0.119 HD
ENDBRANCH  27  34
ENDBRANCH  25  27
ENDBRANCH  10  23
TORSDOF 5