REMARK  Name = BDB015761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619  -0.267  -0.441  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.679   0.762  -1.295  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.834   1.782  -1.054  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.070   1.760  -0.009  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.044   0.656   0.815  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.820  -0.345   0.636  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.905   2.913  -2.011  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.830   4.184  -1.568  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.894   5.273  -2.425  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.815   6.609  -1.857  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.067   5.132  -3.800  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.134   6.058  -4.603  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.179   3.735  -4.294  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.105   2.708  -3.438  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        0.902   0.533   1.911  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.601  -0.336   2.358  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.329   0.433   1.568  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        3.134   1.094   2.692  0.00  0.00    +0.033 C 
BRANCH  17  19
ATOM     19  C   LIG    1        2.706  -1.022   1.324  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        2.723  -1.518   0.009  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        3.035  -2.853  -0.251  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.328  -3.718   0.799  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.300  -3.250   2.111  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.986  -1.914   2.373  0.00  0.00    +0.005 A 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  25
ATOM     25  O   LIG    1       -2.512  -1.300  -0.699  0.00  0.00    -0.420 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -4.207  -2.481   1.255  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.972  -3.159   0.738  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -2.149  -2.534  -0.210  0.00  0.00    +0.170 A 
ATOM     29  C   LIG    1       -1.011  -3.186  -0.695  0.00  0.00    +0.166 A 
ATOM     30  F   LIG    1       -0.250  -2.615  -1.641  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -0.653  -4.441  -0.214  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.449  -5.060   0.748  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.603  -4.425   1.218  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 6