REMARK  Name = BDB015336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.508  -0.126   3.106  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -0.128   1.174   3.124  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.160  -0.626   4.302  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        3.683   0.025  -0.214  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        2.451   0.689  -0.357  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.482   0.640   0.649  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.733  -0.092   1.811  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        2.955  -0.743   1.988  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.919  -0.686   0.976  0.00  0.00    +0.010 A 
BRANCH   4  13
ATOM     10  C   LIG    1        6.667   0.179  -3.314  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.364  -0.214  -3.611  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.394  -0.260  -2.600  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.704   0.083  -1.274  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1        6.021   0.476  -0.993  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.989   0.522  -2.001  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.416  -0.035  -5.560  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.706   0.266  -4.200  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  N   LIG    1       -0.555  -1.323   2.573  0.00  0.00    -0.172 N 
ATOM     19  C   LIG    1       -1.378  -1.252   1.437  0.00  0.00    +0.201 C 
ATOM     20  N   LIG    1       -1.486  -2.361   0.778  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1       -0.655  -3.366   1.481  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1       -0.101  -2.711   2.741  0.00  0.00    +0.158 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -1.983  -0.067   1.126  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1       -2.859   0.562   2.139  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -4.307   0.031   2.029  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1       -4.927   0.130   0.685  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -3.989  -0.446  -0.312  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.541   0.086  -0.232  0.00  0.00    +0.123 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.244   1.529   0.358  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1       -6.190   1.579  -0.872  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -7.006   2.640  -0.106  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -6.463   2.009   1.191  0.00  0.00    +0.019 C 
ENDBRANCH  26  29
ENDBRANCH  19  23
ENDBRANCH   1  18
TORSDOF 6