REMARK  Name = BDB059803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.276   0.025   0.761  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.425  -1.446   0.482  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1       -0.394  -2.200  -0.400  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1       -0.576  -3.406   0.539  0.00  0.00    +0.003 C 
ATOM      5  C   LIG    1       -0.991  -2.403   1.632  0.00  0.00    +0.021 C 
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  S   LIG    1       -2.301   0.860   1.837  0.00  0.00    +0.061 S 
ATOM      7  O   LIG    1       -1.711   2.145   2.138  0.00  0.00    -0.153 OA
ATOM      8  O   LIG    1       -2.686  -0.050   2.894  0.00  0.00    -0.153 OA
BRANCH   6  12
ATOM      9  C   LIG    1       -6.065   1.614  -0.651  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -5.916   0.404   0.059  0.00  0.00    +0.163 A 
ATOM     11  C   LIG    1       -4.759   0.178   0.809  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -3.752   1.149   0.845  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -3.903   2.358   0.167  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -5.054   2.583  -0.590  0.00  0.00    +0.051 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -7.482   3.016  -1.965  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.229   1.753  -1.365  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -6.954  -0.489  -0.050  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -6.931  -1.629   0.792  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
ENDBRANCH   6  12
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1       -0.695   0.827  -0.341  0.00  0.00    +0.144 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.817   0.911  -0.294  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        1.497   1.031   0.925  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        2.890   1.116   0.960  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.637   1.091  -0.225  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        2.958   1.000  -1.446  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.562   0.918  -1.480  0.00  0.00    +0.005 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.149   1.174  -0.177  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.777   0.050   0.530  0.00  0.00    -0.294 NA
ATOM     28  C   LIG    1        5.492  -1.252  -0.107  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1        6.539  -2.309   0.274  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        7.854  -1.978  -0.197  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        8.076  -0.565  -0.295  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        7.231   0.248   0.698  0.00  0.00    +0.113 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9