REMARK  Name = BDB028395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.116   0.651  -2.233  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        0.107   0.676  -3.613  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.244   0.590  -4.503  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -1.126   0.767  -4.148  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.931   0.788  -3.087  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -1.224   0.712  -1.868  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.738   0.683  -0.511  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.725  -0.254  -0.163  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.231  -0.298   1.144  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.745   0.596   2.095  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.261   0.535   3.472  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.202  -0.432   3.721  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.582  -0.484   4.661  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.708  -1.309   2.814  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.859   1.303   4.339  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.769   1.540   1.755  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.271  -1.263   1.589  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.271   1.584   0.453  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.869  -2.255   0.592  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.893  -1.593  -0.217  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -6.360  -2.284  -0.803  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.484  -0.904  -0.842  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  26
ATOM     23  C   LIG    1        3.647   0.310   0.166  0.00  0.00    +0.138 A 
ATOM     24  C   LIG    1        3.432   1.453  -0.622  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1        2.275   1.562  -1.410  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        1.328   0.535  -1.425  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        1.544  -0.600  -0.638  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.695  -0.713   0.150  0.00  0.00    +0.047 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.379   2.532  -0.641  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        5.116   3.427  -0.696  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  23  31
ATOM     31  O   LIG    1        4.802   0.288   0.902  0.00  0.00    -0.491 OA
BRANCH  31  33
ATOM     32  C   LIG    1        6.335  -0.594   2.497  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        5.024  -0.825   1.766  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 7