REMARK  Name = BDB052718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.592  -1.948   2.660  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -1.202  -2.272   3.407  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.743  -2.156   2.924  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.092  -2.812   3.902  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -4.841  -0.876   0.911  0.00  0.00    +0.077 A 
ATOM      6  S   LIG    1       -4.005  -1.421   2.389  0.00  0.00    -0.079 S 
ATOM      7  C   LIG    1       -2.559  -1.313   1.413  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -2.628  -0.915   0.076  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1       -1.537  -0.842  -0.664  0.00  0.00    -0.172 NA
ATOM     10  N   LIG    1       -0.596  -1.241   0.268  0.00  0.00    -0.262 N 
ATOM     11  H   LIG    1        0.374  -1.319  -0.020  0.00  0.00    +0.190 HD
ATOM     12  C   LIG    1       -1.205  -1.505   1.499  0.00  0.00    +0.135 A 
ATOM     13  C   LIG    1       -3.994  -0.668  -0.201  0.00  0.00    +0.051 A 
BRANCH   5  16
ATOM     14  N   LIG    1       -6.860   0.023  -0.026  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1       -6.247   0.566  -0.617  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -6.293  -0.716   1.000  0.00  0.00    +0.251 C 
ATOM     17  O   LIG    1       -6.980  -1.177   1.908  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -8.748   0.644  -1.444  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -8.272   0.379  -0.019  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -8.516   1.597   0.869  0.00  0.00    +0.027 C 
ENDBRANCH  14  19
ENDBRANCH   5  16
ENDBRANCH   1  12
BRANCH   3  21
ATOM     21  C   LIG    1        1.787  -1.566   2.071  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.877  -0.184   1.914  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.866   0.351   1.080  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        3.793  -0.462   0.403  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.686  -1.848   0.611  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        2.704  -2.402   1.442  0.00  0.00    +0.015 A 
BRANCH  24  27
ATOM     27  N   LIG    1        4.754   0.081  -0.433  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1        5.226   1.468  -0.260  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.701   1.625  -0.702  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        7.013   1.183  -2.077  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        7.047   2.302  -3.014  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        6.065   0.147  -2.538  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        5.498  -0.740  -1.406  0.00  0.00    +0.120 C 
ENDBRANCH  24  27
ENDBRANCH   3  21
TORSDOF 5