REMARK  Name = BDB021955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.248   0.972   1.211  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.515   0.635   0.716  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.700  -0.691   0.411  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.008  -1.323   0.761  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.382   1.496   0.575  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.948   0.104   1.341  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -0.836  -0.925   2.485  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -2.100  -1.778   2.561  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -2.403  -2.345   1.251  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -1.996  -3.647   0.983  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -1.414  -4.345   1.813  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -2.290  -4.190  -0.393  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.673  -1.351   0.216  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -1.426  -0.495   0.002  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        2.820  -1.310  -0.199  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.872  -2.721  -0.248  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        1.792  -3.592   0.337  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        3.973  -3.351  -0.854  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.008  -2.604  -1.414  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.956  -1.211  -1.391  0.00  0.00    -0.049 A 
ATOM     21  C   LIG    1        6.077  -0.396  -1.965  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.866  -0.576  -0.775  0.00  0.00    +0.027 A 
ENDBRANCH   3  15
BRANCH   1  23
ATOM     23  C   LIG    1        0.045   2.386   1.556  0.00  0.00    +0.144 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -2.359   4.469  -1.385  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1       -1.101   3.967  -1.722  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -0.321   3.302  -0.774  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -0.793   3.119   0.532  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.054   3.630   0.868  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1       -2.833   4.299  -0.084  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -4.276   5.682  -2.097  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.018   5.097  -2.406  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 5