REMARK  Name = BDB056933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.575   1.332  -0.428  0.00  0.00    +0.130 A 
ATOM      2  N   LIG    1       -1.375   0.408  -0.968  0.00  0.00    -0.206 NA
ATOM      3  C   LIG    1       -0.823  -0.769  -1.279  0.00  0.00    +0.196 A 
ATOM      4  N   LIG    1        0.475  -1.076  -1.144  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1        1.287  -0.141  -0.632  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.776   1.086  -0.244  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.633  -0.446  -0.454  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        3.652   0.589  -0.694  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.845   0.049  -1.520  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.479  -1.183  -1.012  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.614  -0.895  -0.140  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.499  -2.054  -0.322  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.034  -1.831  -0.759  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.084   2.583  -0.006  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -0.478   3.330  -0.315  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -5.215   5.228   0.643  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -4.173   4.186   0.533  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -4.427   2.866   0.774  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -5.305   2.433   1.040  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.353   2.078   0.644  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -2.374   2.898   0.256  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -2.838   4.238   0.199  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  S   LIG    1       -1.891  -2.019  -1.951  0.00  0.00    -0.050 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.551  -2.720  -0.449  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -3.270  -1.945   0.468  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -3.787  -2.523   1.630  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.598  -3.882   1.877  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.893  -4.664   0.963  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.374  -4.085  -0.197  0.00  0.00    +0.015 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5