REMARK  Name = BDB003565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.415  -0.102   0.059  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.059  -0.992  -0.970  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.712  -1.243  -1.293  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.293  -0.587  -0.586  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.046   0.285   0.460  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.385   0.532   0.768  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.387  -0.116   1.651  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.833   0.156   0.378  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.675   0.687  -0.620  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.021   0.950  -0.367  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.550   0.688   0.891  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.739   0.159   1.897  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.104  -1.158   3.782  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        3.531  -0.643   2.587  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.412  -2.379  -2.625  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.548  -2.232  -3.523  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.120  -3.670  -2.036  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.982  -1.838  -3.565  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.726  -0.819  -0.816  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.507   0.227  -1.302  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -1.995   1.550  -1.652  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -2.161  -1.937  -0.563  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.961   0.058  -1.298  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.556   0.719  -0.079  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -5.239   1.876  -0.147  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1       -5.806   2.485   1.083  0.00  0.00    +0.249 A 
ATOM     27  O   LIG    1       -6.412   3.549   1.041  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1       -5.604   1.784   2.247  0.00  0.00    -0.329 N 
ATOM     29  H   LIG    1       -5.997   2.195   3.084  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1       -4.929   0.593   2.312  0.00  0.00    +0.086 A 
ATOM     31  C   LIG    1       -4.412   0.049   1.205  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6