REMARK  Name = BDB016030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.803   3.444  -0.851  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -0.768   2.050  -0.835  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1        0.398   1.374  -0.810  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        1.550   2.071  -0.810  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        1.614   3.412  -0.836  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.434   4.063  -0.860  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.801   6.814  -0.287  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -3.877   5.710  -0.647  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -2.282   5.654  -0.015  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -2.054   4.195  -0.903  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -3.119   3.832  -1.594  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -4.172   4.709  -1.449  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        2.813   1.308  -0.778  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.817  -0.101  -0.859  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.005  -0.847  -0.822  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        5.224  -0.173  -0.702  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.252   1.219  -0.624  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.060   1.948  -0.663  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.951  -2.294  -0.919  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.787  -3.170  -0.257  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        4.374  -4.425  -0.601  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        4.929  -5.677  -0.146  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        3.331  -4.434  -1.451  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        3.073  -3.137  -1.639  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -1.968   1.315  -0.743  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.650   1.709  -1.397  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.869  -0.140  -0.849  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.472  -0.779   0.471  0.00  0.00    +0.037 C 
ATOM     29  C   LIG    1       -1.691  -2.307   0.564  0.00  0.00    +0.115 C 
ATOM     30  N   LIG    1       -2.311  -2.123   1.900  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1       -2.506  -0.678   1.615  0.00  0.00    +0.115 C 
BRANCH  30  32
ATOM     32  S   LIG    1       -3.308  -3.162   2.741  0.00  0.00    +0.029 S 
ATOM     33  O   LIG    1       -3.662  -2.526   3.992  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1       -2.710  -4.479   2.706  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1       -4.767  -3.203   1.722  0.00  0.00    +0.215 C 
ENDBRANCH  30  32
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 7