REMARK  Name = BDB012908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.425  -1.575  -0.780  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.288  -0.866  -0.068  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.588  -2.312  -0.756  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        2.763  -3.278  -1.494  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.425   0.055  -0.055  0.00  0.00    +0.264 C 
ATOM      6  N   LIG    1       -1.609  -0.916  -0.605  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1       -0.720  -0.820  -1.757  0.00  0.00    +0.130 C 
ATOM      8  C   LIG    1        0.275  -1.974  -1.583  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1       -0.569  -3.025  -0.861  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -1.430  -2.189   0.077  0.00  0.00    +0.110 C 
ATOM     11  O   LIG    1       -2.950  -0.129   1.045  0.00  0.00    -0.268 OA
BRANCH   5  16
ATOM     12  C   LIG    1       -2.941   3.088  -2.061  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1       -3.411   3.446  -0.861  0.00  0.00    -0.178 NA
ATOM     14  N   LIG    1       -3.260   2.343  -0.113  0.00  0.00    -0.272 N 
ATOM     15  H   LIG    1       -3.583   2.352   0.850  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1       -2.657   1.293  -0.760  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1       -2.471   1.751  -2.049  0.00  0.00    +0.057 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.257   5.359  -2.906  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -2.964   4.039  -3.223  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1       -4.392   4.298  -3.709  0.00  0.00    +0.014 C 
ENDBRANCH  12  19
ENDBRANCH   5  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        3.660  -1.892   0.198  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        3.474  -1.008   1.271  0.00  0.00    +0.141 A 
ATOM     23  C   LIG    1        4.552  -0.646   2.093  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        5.814  -1.197   1.877  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.006  -2.099   0.834  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.938  -2.444   0.001  0.00  0.00    +0.017 A 
BRANCH  22  27
ATOM     27  O   LIG    1        2.256  -0.420   1.516  0.00  0.00    -0.455 OA
BRANCH  27  28
ATOM     28  C   LIG    1        1.523  -0.874   2.595  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        0.463  -0.048   2.980  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -0.381  -0.428   4.024  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.168  -1.635   4.688  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.886  -2.463   4.305  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        1.729  -2.089   3.256  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 6