REMARK  Name = BDB053473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.847  -0.376  -0.192  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.196  -1.239   0.343  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -1.509  -0.846   0.297  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.239  -1.865   0.869  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.295  -2.815   1.226  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.830   0.378  -0.257  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1       -0.837   1.156  -0.734  0.00  0.00    +0.061 A 
ATOM      8  N   LIG    1       -0.022  -2.421   0.896  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.496   0.778  -0.709  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.766  -2.000   1.100  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -4.761  -1.111   0.777  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -5.933  -1.689   1.184  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -6.876  -1.320   1.108  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -5.766  -2.893   1.751  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -4.446  -3.083   1.699  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.158  -0.819  -0.128  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        2.218  -1.737   0.309  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        7.050  -0.202  -0.991  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.590   0.075  -0.957  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        5.151   1.224  -1.465  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1        3.505   1.287  -1.302  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        3.317  -0.242  -0.540  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        4.583  -0.790  -0.420  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  C   LIG    1       -1.121   2.500  -1.369  0.00  0.00    +0.072 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -0.587   3.693  -0.562  0.00  0.00    +0.084 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -1.258   3.876   0.728  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1       -1.035   3.082   1.329  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1       -2.267   3.873   0.600  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 6