REMARK  Name = BDB017033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.777   0.275  -0.622  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.240   1.072  -0.169  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -1.310   0.223   0.021  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.960  -1.071  -0.310  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.298  -1.004  -0.689  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.628   0.609   0.502  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.806   1.907   0.863  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.029   2.271   1.304  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -5.090   1.396   1.426  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.879   0.065   1.073  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.638  -0.339   0.584  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.011  -0.878   1.197  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -7.167  -0.543   1.010  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.648  -2.118   1.585  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -4.713  -2.223   1.845  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1        2.276   0.734  -2.522  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1        2.117   0.731  -0.998  0.00  0.00    +0.115 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.183  -0.027  -0.219  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        3.988  -1.023  -0.795  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.946  -1.697  -0.033  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.113  -1.390   1.315  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.321  -0.410   1.905  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.364   0.265   1.146  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5