REMARK  Name = BDB004834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.026  -1.287   1.107  0.00  0.00    -0.321 N 
ATOM      2  H   LIG    1        0.529  -2.149   0.870  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        4.776   1.596  -0.567  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        4.517   0.515  -1.342  0.00  0.00    +0.125 A 
ATOM      5  N   LIG    1        3.555  -0.427  -1.480  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        2.409  -0.033  -0.926  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        1.767  -0.944  -0.188  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1        1.075  -0.391   0.825  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        1.176   0.713   1.591  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        2.018   1.745   1.726  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.153   2.307   1.287  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.199   2.264   0.448  0.00  0.00    +0.014 A 
BRANCH   3  16
ATOM     13  N   LIG    1        7.176   1.320  -0.577  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.907   0.353  -0.414  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        8.075   1.533  -0.971  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        6.146   2.176  -0.880  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1        6.366   3.309  -1.299  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -1.131  -1.318   0.174  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.151  -2.335   0.696  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.732  -3.266  -0.179  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.677  -4.185   0.283  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.053  -4.185   1.626  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.484  -3.268   2.507  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.540  -2.349   2.045  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.778   0.089  -0.015  0.00  0.00    +0.108 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.809   0.141  -1.098  0.00  0.00    -0.313 NA
ATOM     27  H   LIG    1       -2.304  -0.134  -1.946  0.00  0.00    +0.122 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.292   1.516  -1.255  0.00  0.00    +0.091 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.380   1.563  -2.331  0.00  0.00    +0.080 C 
BRANCH  29  30
ATOM     30  S   LIG    1       -5.110   3.227  -2.478  0.00  0.00    -0.177 S 
ATOM     31  H   LIG    1       -5.454   3.344  -1.187  0.00  0.00    +0.102 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 9