REMARK  Name = BDB012606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.713  -1.354   0.345  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.636  -1.275   0.119  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.182  -0.848   1.315  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.183  -0.676   2.250  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.936  -0.992   1.641  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.599  -0.622   1.577  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.028  -0.887   2.834  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.333  -0.692   3.101  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.249  -0.241   2.168  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.805   0.036   0.874  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.453  -0.161   0.577  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.750   0.519  -0.117  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        7.104   0.593   0.095  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.674   1.078  -0.999  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        6.699   1.312  -1.887  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        6.947   1.696  -2.792  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        5.476   0.978  -1.387  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.705  -1.829  -0.601  0.00  0.00    +0.131 C 
BRANCH  18  25
ATOM     19  C   LIG    1       -5.540   1.032   1.427  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.810   1.840   0.560  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.872   1.282  -0.325  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -3.136   2.206  -1.263  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1       -2.574   1.469  -2.473  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -1.743   0.286  -2.002  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -2.606  -0.744  -1.241  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -3.625  -0.106  -0.302  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -4.407  -0.908   0.549  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.348  -0.343   1.413  0.00  0.00    +0.000 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 4