REMARK  Name = BDB035968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126  -1.506  -0.261  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.087  -0.789  -0.184  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.439  -0.849   1.151  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.594  -0.269   1.694  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.457   0.421   0.814  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.106   0.501  -0.536  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.844   1.099  -1.680  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.729   1.109  -2.725  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.762   0.086  -2.392  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.492  -1.552   1.826  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.944  -0.090  -1.029  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.494  -1.964   0.941  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.836  -1.696  -1.438  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.532  -1.189  -2.267  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.424  -2.200  -1.498  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.881  -1.985  -2.858  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -2.522  -3.518  -0.906  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.268   0.327  -0.774  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.289  -1.045  -0.468  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -4.000  -1.526   0.641  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -4.677  -0.609   1.428  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.456  -0.869   2.679  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -6.247   0.440   2.814  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.390   1.540   2.171  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -4.641   0.759   1.137  0.00  0.00    -0.041 A 
ATOM     26  C   LIG    1       -3.931   1.244   0.051  0.00  0.00    +0.051 A 
BRANCH  18  28
ATOM     27  C   LIG    1       -3.361   1.328  -2.853  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -2.522   0.788  -1.828  0.00  0.00    -0.493 OA
ENDBRANCH  18  28
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  29
ATOM     29  C   LIG    1        4.725   1.047   1.344  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.916   0.335   0.900  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        6.760   0.913   0.019  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        7.729   0.007  -0.132  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        7.519  -1.139   0.655  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        6.341  -0.895   1.321  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6