REMARK  Name = BDB028183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.096  -1.545  -0.950  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.567  -2.780  -1.351  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.886  -3.333  -1.138  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.649  -3.529  -1.992  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.447  -2.772  -1.979  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.232  -1.526  -1.358  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.161  -0.445  -1.113  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.247  -0.657  -0.250  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.105   0.400   0.073  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.887   1.655  -0.491  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.773   2.771  -0.125  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.758   2.486   0.787  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -5.377   3.244   1.059  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.990   1.277   1.365  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.624   3.888  -0.608  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.823   1.865  -1.378  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.229   0.273   1.034  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -0.958   0.815  -1.685  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.519  -1.071   1.699  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.722  -1.209   2.918  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -2.719  -1.173   2.712  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.909  -0.409   3.524  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        3.791   1.012  -0.314  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        2.981   0.049  -0.924  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        1.905  -0.545  -0.241  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1        1.639  -0.146   1.081  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1        2.454   0.820   1.690  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        3.526   1.394   0.998  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.628   2.506  -0.550  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        4.797   1.492  -1.104  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  26  31
ATOM     31  C   LIG    1        0.549  -0.689   1.842  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1       -0.344  -1.089   2.469  0.00  0.00    -0.191 NA
ENDBRANCH  26  31
ENDBRANCH   1  25
TORSDOF 6