REMARK  Name = BDB018828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.375  -0.796   0.611  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.003  -0.637   0.565  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.137   0.081  -0.285  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.199  -0.190   0.062  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        2.283   0.401  -0.600  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.975   1.314  -1.621  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.649   1.596  -1.970  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.263  -1.176   1.192  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.413   0.977  -1.304  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.195  -1.249   1.629  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.897  -1.364   1.582  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.685   0.120  -0.267  0.00  0.00    +0.076 A 
ATOM     13  N   LIG    1        4.425   1.197   0.073  0.00  0.00    -0.215 NA
ATOM     14  C   LIG    1        5.710   0.985   0.362  0.00  0.00    +0.213 A 
ATOM     15  N   LIG    1        6.306  -0.209   0.365  0.00  0.00    -0.223 NA
ATOM     16  C   LIG    1        5.546  -1.258   0.009  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        4.218  -1.152  -0.323  0.00  0.00    +0.048 A 
BRANCH  14  18
ATOM     18  N   LIG    1        6.469   2.076   0.730  0.00  0.00    -0.327 N 
ATOM     19  H   LIG    1        7.244   1.774   1.304  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.869   2.800   1.098  0.00  0.00    +0.145 HD
ENDBRANCH  14  18
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  N   LIG    1       -4.538  -1.046  -0.672  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -3.255  -0.278  -0.531  0.00  0.00    +0.170 C 
ATOM     23  C   LIG    1       -3.722   1.151  -0.255  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -4.985   0.954   0.566  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.645  -0.260  -0.071  0.00  0.00    +0.117 C 
BRANCH  21  27
ATOM     26  N   LIG    1       -4.642  -3.486  -1.186  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -4.598  -2.358  -0.933  0.00  0.00    +0.170 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4