REMARK  Name = BDB030622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.119   0.451   1.943  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.152   0.656   1.419  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.574   0.472   0.036  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        2.031   0.817   0.037  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        3.029   0.003   0.835  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.408   1.259   1.407  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.196   1.198   2.276  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.341   0.682   3.135  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.443  -0.003   0.441  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        4.898  -0.636  -0.813  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1        6.291  -0.032  -0.857  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1        6.349   1.240  -1.706  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1        7.333  -1.041  -1.330  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1        6.586   0.319   0.510  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1        5.358   0.507   1.193  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  20
ATOM     16  C   LIG    1       -4.243  -0.738   0.416  0.00  0.00    +0.040 A 
ATOM     17  N   LIG    1       -3.334  -0.731  -0.602  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -3.485  -0.992  -1.570  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -2.108  -0.322  -0.240  0.00  0.00    -0.169 NA
ATOM     20  C   LIG    1       -2.213  -0.046   1.075  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.544  -0.300   1.519  0.00  0.00    +0.057 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -5.776  -2.507  -0.470  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.675  -1.159   0.256  0.00  0.00    +0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.628  -0.165  -0.374  0.00  0.00    -0.002 C 
ATOM     25  C   LIG    1       -6.421   1.329  -0.287  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -6.303   0.632  -1.615  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   1  20
TORSDOF 4