REMARK  Name = BDB048370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.538   5.541   0.818  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.409   4.546   0.886  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.699   3.226   0.565  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.590   2.268   0.739  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.876   0.992   0.032  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.066  -0.152  -0.199  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.748  -1.076  -0.883  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.970  -0.547  -1.081  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.093   0.695  -0.543  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.264   1.601  -0.564  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.073   2.677   0.526  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.278   4.914   1.205  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.220  -0.220   0.227  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.600   0.600   0.684  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.157  -1.280   0.207  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.494  -1.001   0.541  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.473  -2.007   0.513  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        3.119  -3.313   0.171  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        1.803  -3.602  -0.175  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        0.836  -2.591  -0.166  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.891  -1.724   0.861  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        5.352  -0.461   0.540  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1        4.808   0.085  -0.115  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        5.586  -2.595   1.371  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        6.755  -0.107   0.702  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1        7.580  -0.617  -0.478  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        6.896   1.405   0.847  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -3.967  -1.304  -1.828  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.829  -2.137  -0.924  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -4.391  -3.518  -0.503  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -5.536  -3.356  -1.464  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6