REMARK  Name = BDB025013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.790  -0.498  -1.534  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.784  -1.121  -0.776  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.086  -2.475  -0.267  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.128  -2.431   0.864  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.869  -3.263   0.244  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.655  -2.992  -0.619  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.375  -1.520  -0.545  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.065  -1.012  -0.424  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.119  -1.692  -0.341  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.072  -0.786  -0.240  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.535   0.490  -0.239  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.843   0.355  -0.363  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.894   1.276  -0.411  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.192   0.766  -0.543  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.451  -0.609  -0.631  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.929  -0.947  -1.650  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.181   1.790  -0.056  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.547   1.996  -0.729  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.002   3.469  -0.662  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.587   4.165   0.644  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.334   3.173   1.774  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.208   2.197   1.431  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.471   4.261  -1.845  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -1.478   3.962  -2.489  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.197   5.370  -2.110  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.962   5.506  -1.520  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.388   1.219  -3.025  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.387   0.622  -2.201  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.514  -1.171  -0.162  0.00  0.00    +0.075 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.063  -1.120   1.262  0.00  0.00    +0.011 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.514  -1.582   1.287  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -5.149  -1.729   2.696  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -5.920  -2.945   2.142  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -4.787  -3.100   1.107  0.00  0.00    +0.003 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7