REMARK  Name = BDB006100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.548  -0.297  -0.251  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        0.086  -0.559  -0.411  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.661  -0.610   0.940  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1       -0.964   0.662   1.627  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        0.177   1.280   2.311  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.600   0.910   1.888  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        1.842   1.014   0.390  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1   8
ATOM      8  S   LIG    1        2.421  -0.592  -1.702  0.00  0.00    +0.061 S 
ATOM      9  O   LIG    1        2.290   0.595  -2.522  0.00  0.00    -0.153 OA
ATOM     10  O   LIG    1        2.056  -1.900  -2.201  0.00  0.00    -0.153 OA
BRANCH   8  14
ATOM     11  C   LIG    1        6.729  -0.892  -0.213  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        5.743  -1.755   0.279  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        4.428  -1.669  -0.179  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        4.100  -0.706  -1.135  0.00  0.00    +0.106 A 
ATOM     15  C   LIG    1        5.073   0.159  -1.639  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        6.389   0.065  -1.174  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1        9.025  -0.274  -0.183  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.972  -1.085   0.323  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   8  14
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1       -1.706   1.635   0.802  0.00  0.00    +0.158 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.071   1.068   0.415  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -3.840   0.504   1.408  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -3.421   0.411   2.327  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.070  -0.060   1.221  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1       -5.556   0.004  -0.161  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.795  -0.529  -0.468  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -7.567  -1.144   0.620  0.00  0.00    +0.273 A 
ATOM     27  N   LIG    1       -6.975  -1.139   1.865  0.00  0.00    -0.241 N 
ATOM     28  H   LIG    1       -7.495  -1.562   2.628  0.00  0.00    +0.192 HD
ATOM     29  O   LIG    1       -8.674  -1.630   0.415  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1       -7.260  -0.472  -1.782  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1       -6.464   0.121  -2.768  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -5.209   0.653  -2.440  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -4.735   0.602  -1.128  0.00  0.00    +0.077 A 
ATOM     34  N   LIG    1       -5.751  -0.612   2.181  0.00  0.00    -0.153 NA
ATOM     35  N   LIG    1       -3.460   1.143  -0.829  0.00  0.00    -0.232 NA
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5