REMARK  Name = BDB061423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.306  -1.303   0.557  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.411  -0.117   0.390  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.815  -0.102   0.500  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.505  -1.303   0.779  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        3.907  -1.287   0.884  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        4.631  -0.102   0.708  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        3.943   1.085   0.447  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.774  -2.487   0.948  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.549   1.083   0.338  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.382  -2.483   0.838  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        6.088  -0.125   0.861  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        7.000   0.174  -0.075  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        6.780   0.591  -1.490  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1        5.707   0.761  -2.044  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1        7.981   0.772  -2.111  0.00  0.00    -0.243 N 
ATOM     16  H   LIG    1        8.025   1.056  -3.075  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1        9.115   0.570  -1.397  0.00  0.00    +0.283 C 
ATOM     18  O   LIG    1       10.254   0.700  -1.810  0.00  0.00    -0.262 OA
ATOM     19  S   LIG    1        8.706   0.091   0.235  0.00  0.00    -0.026 S 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.663  -1.445   0.476  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.420  -0.298   0.125  0.00  0.00    +0.324 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -4.378  -1.725   0.291  0.00  0.00    -0.272 OA
ATOM     23  C   LIG    1       -3.921  -0.616   0.037  0.00  0.00    +0.255 C 
ATOM     24  N   LIG    1       -4.657   0.499  -0.355  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1       -4.138   1.349  -0.534  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -6.053   0.586  -0.538  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -6.937  -0.478  -0.342  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -8.312  -0.308  -0.546  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -8.807   0.929  -0.947  0.00  0.00    +0.018 A 
ATOM     30 BR   LIG    1      -10.662   1.157  -1.222  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -7.940   1.999  -1.147  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1       -6.567   1.826  -0.943  0.00  0.00    +0.024 A 
ENDBRANCH  24  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5