REMARK  Name = BDB063121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.084   0.600   0.239  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        1.538   0.512   1.137  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.786   0.185  -2.891  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1        1.768   0.351  -2.033  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        2.065   0.393  -0.727  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        3.321   0.319  -0.255  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.329   0.144  -1.140  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        4.095   0.072  -2.498  0.00  0.00    +0.048 A 
BRANCH   7   9
ATOM      9  C   LIG    1        5.681   0.049  -0.553  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        6.015   0.806   0.589  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        7.300   0.735   1.167  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        8.248  -0.111   0.590  0.00  0.00    +0.039 A 
ATOM     13  S   LIG    1        9.716  -0.007   1.487  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        8.981   1.127   2.538  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.954  -0.886  -0.540  0.00  0.00    +0.018 A 
ATOM     16  N   LIG    1        7.732   1.440   2.280  0.00  0.00    -0.247 NA
ATOM     17  C   LIG    1        6.668  -0.792  -1.092  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.218   0.075   0.249  0.00  0.00    +0.125 A 
ATOM     19  N   LIG    1       -0.621  -0.829  -0.666  0.00  0.00    -0.240 NA
ATOM     20  C   LIG    1       -1.894  -1.284  -0.605  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1       -2.824  -0.886   0.345  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -2.395   0.039   1.295  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -1.089   0.525   1.243  0.00  0.00    +0.044 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.220  -1.453   0.357  0.00  0.00    +0.121 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.270  -0.424   0.344  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -5.288   0.333  -0.930  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -6.585   1.156  -1.148  0.00  0.00    +0.096 C 
ATOM     28  N   LIG    1       -7.348   1.364   0.094  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1       -6.685   1.769   0.761  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -7.721   0.047   0.646  0.00  0.00    +0.096 C 
ATOM     31  C   LIG    1       -6.598  -1.020   0.583  0.00  0.00    +0.100 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5