REMARK  Name = BDB061117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.622  -0.185   0.590  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.089   1.121   0.600  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.297   1.349   0.439  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.105   2.530   0.405  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        3.409   2.116   0.222  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.423   0.747   0.149  0.00  0.00    -0.346 N 
ATOM      7  C   LIG    1        1.633   3.932   0.543  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.143   0.251   0.280  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.656  -1.062   0.277  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        0.277  -1.254   0.435  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -4.378   0.109   0.485  0.00  0.00    +0.124 A 
ATOM     12  N   LIG    1       -4.738  -1.024   1.097  0.00  0.00    -0.197 NA
ATOM     13  C   LIG    1       -3.720  -1.814   1.483  0.00  0.00    +0.272 A 
ATOM     14  N   LIG    1       -2.403  -1.601   1.334  0.00  0.00    -0.212 NA
ATOM     15  C   LIG    1       -2.071  -0.439   0.744  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -3.045   0.445   0.300  0.00  0.00    +0.072 A 
BRANCH  13  17
ATOM     17  S   LIG    1       -4.173  -3.345   2.275  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -3.905  -4.435   1.349  0.00  0.00    -0.167 OA
ATOM     19  O   LIG    1       -3.623  -3.353   3.621  0.00  0.00    -0.167 OA
ATOM     20  C   LIG    1       -5.934  -3.242   2.450  0.00  0.00    +0.204 C 
ENDBRANCH  13  17
BRANCH  11  21
ATOM     21  N   LIG    1       -5.353   1.027   0.058  0.00  0.00    -0.329 N 
ATOM     22  H   LIG    1       -5.154   1.305  -0.900  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -6.739   0.596   0.232  0.00  0.00    +0.102 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.729   1.944  -1.690  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -7.700   1.710  -0.186  0.00  0.00    +0.015 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  C   LIG    1        4.630  -0.048  -0.028  0.00  0.00    +0.123 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.878  -0.380  -1.499  0.00  0.00    +0.037 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.086  -1.303  -1.692  0.00  0.00    +0.085 C 
BRANCH  28  29
ATOM     29  N   LIG    1        7.341  -0.774  -1.133  0.00  0.00    -0.308 NA
ATOM     30  C   LIG    1        8.370  -1.819  -1.135  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        7.825   0.391  -1.877  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 9