REMARK  Name = BDB025451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.300   0.542  -0.490  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        1.975   0.157  -1.100  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.853   0.653  -0.232  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.418   0.267  -0.374  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -1.098   0.958   0.597  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.235   1.781   1.332  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.496   0.818   0.750  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -3.079   1.514   1.578  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.017   1.599   0.802  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.342   2.168   1.150  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.323   1.972  -0.022  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.143  -0.191  -0.190  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.389  -0.848   0.400  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -5.537  -1.037  -0.391  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.676  -1.612   0.189  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.657  -2.079   1.503  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.500  -1.958   2.263  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.622  -0.551  -1.706  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -6.287  -1.081  -2.264  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.351  -0.331  -2.375  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.371  -1.349   1.716  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.462   0.536  -1.505  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  23
ATOM     23  S   LIG    1        4.606   0.078  -1.474  0.00  0.00    +0.034 S 
ATOM     24  O   LIG    1        4.855   1.176  -2.384  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        4.327  -1.252  -1.974  0.00  0.00    -0.158 OA
BRANCH  23  27
ATOM     26  C   LIG    1        5.647  -0.976   0.855  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        5.976  -0.035  -0.299  0.00  0.00    +0.142 C 
ATOM     28  C   LIG    1        7.238  -0.492  -1.026  0.00  0.00    +0.033 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   6  29
ATOM     29  N   LIG    1       -0.640   2.561   2.358  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -0.063   3.306   2.736  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -1.643   2.682   2.540  0.00  0.00    +0.144 HD
ENDBRANCH   6  29
TORSDOF 4