REMARK  Name = BDB062766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.445  -0.861  -0.459  0.00  0.00    +0.049 A 
ATOM      2  N   LIG    1        1.952  -1.742  -1.387  0.00  0.00    -0.339 N 
ATOM      3  H   LIG    1        1.415  -2.268  -2.060  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.313  -1.809  -1.292  0.00  0.00    +0.142 A 
ATOM      5  C   LIG    1        3.728  -0.936  -0.297  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        5.111  -0.884  -0.073  0.00  0.00    +0.079 A 
ATOM      7  N   LIG    1        5.933  -1.680  -0.807  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        5.381  -2.475  -1.740  0.00  0.00    +0.224 A 
ATOM      9  N   LIG    1        4.082  -2.601  -2.053  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        2.540  -0.349   0.226  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.727  -0.005   0.931  0.00  0.00    -0.023 C 
ATOM     12  C   LIG    1        5.239   1.414   1.079  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1        6.283   2.309   1.768  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        6.820   1.673   2.977  0.00  0.00    -0.312 NA
ATOM     15  H   LIG    1        6.045   1.426   3.590  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        7.527   0.438   2.626  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        6.796  -0.422   1.640  0.00  0.00    -0.006 C 
ENDBRANCH   6  11
BRANCH   1  21
ATOM     18  C   LIG    1       -2.739  -0.013  -0.062  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -1.785   0.988   0.125  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -0.420   0.712  -0.002  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.017  -0.577  -0.321  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1       -0.943  -1.582  -0.498  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -2.311  -1.303  -0.368  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -4.029   0.402   0.098  0.00  0.00    -0.485 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -5.484  -1.322   0.991  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1       -5.105  -0.486  -0.232  0.00  0.00    +0.200 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.300   0.348  -0.672  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -6.633   1.549  -0.025  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -7.745   2.292  -0.429  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.542   1.841  -1.479  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.228   0.649  -2.127  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.115  -0.094  -1.727  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 5