REMARK  Name = BDB033414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.271  -0.696   2.600  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        1.179  -0.706   3.616  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.320   0.143   1.949  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.003  -0.198   1.626  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.923   0.734   1.115  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.146   0.023   0.889  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -2.955  -1.285   1.270  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -1.517   2.085   0.939  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.425   3.158   0.396  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -0.212   2.437   1.327  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -1.672  -1.401   1.724  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -1.242  -2.265   2.043  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1        0.673   1.490   1.833  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -4.375   0.537   0.368  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.370   0.959  -0.056  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.619  -2.247   2.033  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        2.783  -2.680   2.779  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.394  -3.025   2.082  0.00  0.00    -0.148 OA
BRANCH  16  21
ATOM     19  C   LIG    1        2.391  -1.586  -1.797  0.00  0.00    +0.135 A 
ATOM     20  N   LIG    1        1.907  -1.220  -0.536  0.00  0.00    -0.216 NA
ATOM     21  C   LIG    1        2.104  -2.206   0.320  0.00  0.00    +0.236 A 
ATOM     22  S   LIG    1        2.855  -3.610  -0.301  0.00  0.00    -0.055 S 
ATOM     23  C   LIG    1        2.954  -2.854  -1.832  0.00  0.00    +0.081 A 
BRANCH  19  27
ATOM     24  C   LIG    1        0.942   1.060  -1.872  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1        1.674   0.471  -2.964  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1        1.698   0.962  -3.849  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        2.333  -0.733  -2.997  0.00  0.00    +0.263 C 
ATOM     28  O   LIG    1        2.861  -1.075  -4.056  0.00  0.00    -0.269 OA
ENDBRANCH  19  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5