REMARK  Name = BDB018895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.755  -1.073   0.273  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.394  -0.850   0.393  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.448  -0.143  -0.380  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.805  -0.180   0.260  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.935   0.427  -0.292  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        1.794   1.059  -1.532  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.553   1.093  -2.179  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.717  -0.922   1.560  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.572   0.492  -1.604  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.671  -1.544   1.469  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -3.310  -1.873   1.039  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.235   0.411   0.355  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.504   0.041  -0.175  0.00  0.00    +0.115 A 
ATOM     14  C   LIG    1        5.448   0.234   0.831  0.00  0.00    +0.157 A 
ATOM     15  N   LIG    1        6.774  -0.002   0.747  0.00  0.00    -0.234 NA
ATOM     16  C   LIG    1        7.102  -0.471  -0.481  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        6.189  -0.673  -1.509  0.00  0.00    +0.131 A 
ATOM     18  N   LIG    1        4.795   0.718   1.929  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1        5.255   0.955   2.796  0.00  0.00    +0.167 HD
ATOM     20  N   LIG    1        4.862  -0.426  -1.405  0.00  0.00    -0.250 NA
ATOM     21  C   LIG    1        3.454   0.847   1.653  0.00  0.00    +0.095 A 
ENDBRANCH   5  12
BRANCH   1  23
ATOM     22  N   LIG    1       -5.012  -0.761  -0.843  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -3.586  -0.285  -0.742  0.00  0.00    +0.170 C 
ATOM     24  C   LIG    1       -3.719   1.181  -0.309  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -5.078   1.598  -0.836  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -5.931   0.367  -0.589  0.00  0.00    +0.117 C 
BRANCH  22  28
ATOM     27  N   LIG    1       -5.716  -3.041  -1.571  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -5.384  -1.993  -1.209  0.00  0.00    +0.170 C 
ENDBRANCH  22  28
ENDBRANCH   1  23
TORSDOF 3