REMARK  Name = BDB028219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.891   1.591  -0.008  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.546   0.353   0.151  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.946   0.267   0.119  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.700   1.420  -0.075  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -6.168   1.323  -0.108  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.693   0.066   0.060  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.705  -0.021   0.041  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.986  -1.081   0.253  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -6.869   2.313  -0.277  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.072   2.657  -0.236  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.685  -1.010   0.284  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.678   2.739  -0.202  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.778   0.965  -0.732  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        0.384   0.869  -0.786  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -0.424   1.678   0.028  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.240   2.570   0.871  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.585   2.703   0.949  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        2.320   1.900   0.143  0.00  0.00    +0.125 A 
BRANCH  13  19
ATOM     19  S   LIG    1        2.773  -0.059  -1.793  0.00  0.00    -0.088 S 
BRANCH  19  23
ATOM     20  C   LIG    1        7.770  -0.695  -0.252  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.314  -0.950   0.005  0.00  0.00    -0.049 A 
ATOM     22  C   LIG    1        5.341  -0.455  -0.875  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        3.983  -0.712  -0.656  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        3.598  -1.495   0.437  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.561  -2.004   1.309  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.913  -1.735   1.092  0.00  0.00    +0.003 A 
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -3.880  -2.295   0.501  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.765  -3.457   0.637  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.367  -3.485  -0.190  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.425  -3.255   1.392  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5