REMARK  Name = BDB058597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783  -0.185  -0.032  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.829   0.535   0.503  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        3.016  -0.005   0.027  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        2.757  -1.051  -0.800  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        1.430  -1.152  -0.828  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.327   0.477   0.362  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        5.493  -0.111  -0.151  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        6.700   0.470   0.267  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.962  -0.102  -0.237  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        7.839  -1.169  -1.083  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        8.696  -1.570  -1.435  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        6.630  -1.678  -1.444  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        9.055   0.351   0.083  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        6.746   1.561   1.135  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.548   2.064   1.582  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        5.505  -1.214  -1.031  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        4.356   1.554   1.220  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  21
ATOM     18  N   LIG    1       -3.512  -0.267   0.274  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1       -2.729  -1.472   0.566  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.312  -1.111   1.022  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -0.684   0.022   0.191  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -1.452   0.214  -1.118  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -2.933   0.501  -0.841  0.00  0.00    +0.085 C 
BRANCH  18  24
ATOM     24  C   LIG    1       -4.934  -0.600   0.075  0.00  0.00    +0.087 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.948   1.587  -0.860  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1       -5.934   0.565   0.278  0.00  0.00    -0.003 C 
ATOM     27  C   LIG    1       -7.349  -0.008   0.438  0.00  0.00    +0.008 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4