REMARK  Name = BDB035970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.219  -0.590  -1.122  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.044  -0.501  -0.497  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.466   0.789  -0.756  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -2.687   1.322  -0.326  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.548   0.482   0.420  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.127  -0.819   0.704  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -3.831  -1.923   1.405  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1       -2.663  -2.889   1.607  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -1.652  -2.620   0.610  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1       -0.511   1.428  -1.484  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1       -1.899  -1.304   0.252  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.550   0.563  -1.712  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.007  -1.732  -1.107  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1        0.719  -2.507  -0.513  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1        2.622  -1.759  -1.519  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1        3.141  -3.044  -1.092  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.761  -1.351  -2.902  0.00  0.00    -0.150 OA
BRANCH  15  20
ATOM     18  C   LIG    1        4.615   1.543  -0.272  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1        4.023   0.557  -1.073  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1        3.359  -0.526  -0.482  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        3.299  -0.645   0.907  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1        3.876   0.343   1.708  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.539   1.425   1.122  0.00  0.00    +0.007 A 
BRANCH  18  25
ATOM     24  C   LIG    1        6.804   2.390  -1.155  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        5.338   2.706  -0.904  0.00  0.00    +0.032 C 
ENDBRANCH  18  25
BRANCH  21  26
ATOM     26  O   LIG    1        2.607  -1.673   1.491  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        3.489  -2.552   2.193  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1       -4.889   1.008   0.872  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -5.797   1.198  -0.251  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1       -6.018   2.437  -0.739  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -6.889   2.236  -1.730  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -7.241   0.881  -1.868  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -6.524   0.233  -0.890  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7